SCHEMBL398196

SCHEMBL398196

CN(C)CCNC(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
SETD7 Q8WTS6 1/20 0.53
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
NAMPT P43490 1/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ALOX5 P09917 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 2/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
ACHE P22303 1/20 0.48

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
Hydrochloric Acid SCHEMBL15845932 0.98 ALDH1A1 (0.58) ALDH1A1SETD7HPGDSMN1; SMN2HTT
SCHEMBL1367341 0.91 HPGD (0.65) ALDH1A1HPGDSMN1; SMN2HTTNAMPT
SCHEMBL30046741 0.88 ALDH1A1 (0.73) ALDH1A1SETD7HPGDSMN1; SMN2HTT
SCHEMBL6350121 0.84 LMNA (0.68) ALDH1A1SMN1; SMN2NAMPTTHRBHDAC4
SCHEMBL25231901 0.84 TRPV1 (0.57) ALDH1A1TRPV1MAPK1LMNATSHR
Hydrochloric Acid SCHEMBL1367735 0.83 LMNA (0.69) ALDH1A1SMN1; SMN2THRBHDAC4HDAC1
SCHEMBL875451 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTUSP2MAPK1
SCHEMBL2316651 0.81 KDM4E (0.57) ALDH1A1TRPV1KMT2A
SCHEMBL11407954 0.81 ALDH1A1 (0.65) ALDH1A1SETD7HPGDSMN1; SMN2HTT
SCHEMBL6207528 0.81 SMN1; SMN2 (0.67) ALDH1A1SETD7HPGDSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2024-06-18 US disclosed
US-11787783-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-10-17 US disclosed
US-11787783-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-10-17 US disclosed
US-11787783-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-10-17 US disclosed
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2022-12-29 US disclosed
EP-3398598-B1 SULFONAMIDE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF HITGEN INC (CN) 2022-04-06 EP disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
CN-108350028-B Peptide macrocycles against Acinetobacter baumannii 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
US-11149008-B2 Sulfamide derivatives and preparation method and use thereof HitGen, Inc. 2021-10-19 US disclosed
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed
EP-1979353-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
EP-1974212-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH Vertex Pharmaceuticals Incorporated (US) 2008-10-01 EP disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
US-20070208053-A1 Fused heterobicyclic kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-09-06 US disclosed
WO-2007084667-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI PHARMACEUTICAL, INC. (US) 2007-07-26 WO disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US 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 (8 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-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 ALDH1A1 4290/4885SETD7 2915/4885HPGD 4181/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 ALDH1A1 4290/4885SETD7 2915/4885HPGD 4181/4885
US-20080103141-A1 New compounds GPR119, GPR3, GPR4 ALDH1A1 1823/4885SETD7 4692/4885HPGD 1957/4885
US-11149008-B2 Sulfamide derivatives and preparation method and use thereof HDAC6, HDAC1, HDAC11 ALDH1A1 554/4885SETD7 38/4885HPGD 429/4885
US-11787783-B2 Heparanase inhibitors and use thereof HPSE, HEXD, ENGASE ALDH1A1 1394/4885SETD7 4687/4885HPGD 246/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 ALDH1A1 2651/4885SETD7 4724/4885HPGD 1487/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885SETD7 4809/4885HPGD 1132/4885
US-20070208053-A1 Fused heterobicyclic kinase inhibitors MAP2K5, MAP2K7, MAP2K2 ALDH1A1 4769/4885SETD7 2001/4885HPGD 3305/4885

“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.