SCHEMBL5451054

SCHEMBL5451054

CC(C)NC(=O)c1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.58
P2RX7 Q99572 1/20 0.57
TSHR P16473 2/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
GPR139 Q6DWJ6 1/20 0.55
HPGD P15428 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 3/20 0.54
MAPT P10636 1/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13754448 0.85 TAS1R3 (0.69) P2RX7TSHRNPC1RAB9AGPR139
SCHEMBL24571488 0.85 POLB (0.58) POLBSMN1; SMN2P2RX7NPC1RAB9A
SCHEMBL15271936 0.85 POLB (0.58) POLBSMN1; SMN2P2RX7NPC1RAB9A
SCHEMBL27584115 0.84 SMN1; SMN2 (0.59) POLBSMN1; SMN2P2RX7TSHRNPC1
SCHEMBL8297129 0.84 POLB (0.56) POLBSMN1; SMN2P2RX7NPC1RAB9A
SCHEMBL8803130 0.82 POLB (0.55) POLBSMN1; SMN2P2RX7NPC1RAB9A
SCHEMBL18896250 0.82 MEN1 (0.71) POLBSMN1; SMN2P2RX7NPC1RAB9A
SCHEMBL6359727 0.82 GPR139 (0.74) POLBSMN1; SMN2NPC1RAB9AGPR139
SCHEMBL551796 0.81 PBRM1 (0.49) POLBSMN1; SMN2P2RX7TSHRNPC1
SCHEMBL9464741 0.81 POLB (0.53) POLBSMN1; SMN2P2RX7NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors Nanjing Immunophage Biotech Co., Ltd. (CN) 2023-02-09 US disclosed
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
US-20210079017-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-18 US disclosed
US-20200281905-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 US disclosed
US-10695328-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-30 US disclosed
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2020-02-06 US disclosed
CN-103420975-A Fluorine-contained o-amino thiobenzamide type compound and application thereof UNIV QINGDAO SCIENCE & TECHNOLOGY 2013-12-04 CN disclosed
WO-2012082853-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 WO disclosed
US-8049014-B2 Aminoquinoline derivatives, preparation method thereof and pharmaceutical composition comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-11-01 US disclosed
US-20100249182-A1 AMINOQUINOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KP) 2010-09-30 US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-20070031514-A1 Use of isoindolinone derivatives as insecticides BAYER CROPSCIENCE AG (DE) 2007-02-08 US disclosed
EP-1635639-A1 USE OF ISOINDOLINONE DERIVATIVES AS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-03-22 EP disclosed
WO-2004110149-A1 USE OF ISOINDOLINONE DERIVATIVES AS INSECTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 POLB 4652/4885SMN1; SMN2 4604/4885P2RX7 2404/4885
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 POLB 4200/4885SMN1; SMN2 4731/4885P2RX7 1509/4885
US-20070031514-A1 Use of isoindolinone derivatives as insecticides DDT, CYP1A2, CYP1A1 POLB 4089/4885SMN1; SMN2 561/4885P2RX7 1120/4885
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient BRD4, BET1, BRD3 POLB 997/4885SMN1; SMN2 4275/4885P2RX7 2782/4885
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA POLB 4110/4885SMN1; SMN2 3833/4885P2RX7 337/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 POLB 3520/4885SMN1; SMN2 4517/4885P2RX7 4428/4885
US-20210079017-A1 NEPRILYSIN INHIBITORS MME, REN, ACE POLB 1730/4885SMN1; SMN2 905/4885P2RX7 1047/4885
US-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 POLB 3400/4885SMN1; SMN2 4109/4885P2RX7 3392/4885
US-10695328-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 POLB 3400/4885SMN1; SMN2 4109/4885P2RX7 3392/4885
US-20200281905-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 POLB 3400/4885SMN1; SMN2 4109/4885P2RX7 3392/4885
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors CCR8, CCR1, CCR3 POLB 4200/4885SMN1; SMN2 4731/4885P2RX7 1509/4885
US-20100249182-A1 AMINOQUINOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME NRAS, SFPQ, TYR POLB 2181/4885SMN1; SMN2 2697/4885P2RX7 3068/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.