SCHEMBL12376694

SCHEMBL12376694

CC(C)NC(=O)c1cccs1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.66
HDAC1 Q13547 1/20 0.62
HPGD P15428 2/20 0.59
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
NPC1 O15118 4/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
GAA P10253 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
TSHR P16473 2/20 0.53
MAPT P10636 1/20 0.53
GFER P55789 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK10 P53779 1/20 0.53

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
SCHEMBL13753488 0.85 RAB9A (0.62) RAB9AHDAC1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL27550180 0.83 RAB9A (0.56) RAB9AHDAC1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL27550181 0.83 RAB9A (0.56) RAB9AHDAC1HPGDMEN1KMT2A
SCHEMBL10441736 0.82 HPGD (0.59) RAB9AHDAC1HPGDMEN1KMT2A
SCHEMBL13754512 0.82 RAB9A (0.72) RAB9AHDAC1HPGDMEN1KMT2A
SCHEMBL13222397 0.82 HSPA5 (0.57) RAB9AHDAC1HPGDNPC1SMN1; SMN2
SCHEMBL3810428 0.81 HDAC1 (0.58) RAB9AHDAC1MEN1KMT2ANPC1
SCHEMBL5115961 0.81 KMT2A (0.59) RAB9AHDAC1HPGDMEN1KMT2A
SCHEMBL11484845 0.81 RAB9A (0.70) RAB9AHDAC1HPGDMEN1KMT2A
SCHEMBL13222393 0.81 HSPA5 (0.60) RAB9AHDAC1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922374-A New catechol derivatives and the pharmaceutical composition containing it 自体吞噬科学有限公司 2018-04-17 CN claimed
CN-116693533-A Five-membered heteroaromatic ring type gin-MLL interaction inhibitor, preparation method and medical application thereof 成都硕德药业有限公司 2023-09-05 CN 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-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-20230141212-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-20230141212-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 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
CN-110179777-B Pharmaceutical compositions comprising nitroxyl donors 卡尔迪奥克斯尔制药公司 2022-07-15 CN disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-20070010509-A1 Cycloamine ccr5 receptor antagonists TEIJIN PHARMA LIMITED (JP) 2007-01-11 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 (10 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC RAB9A 2056/4885HDAC1 1968/4885HPGD 1640/4885
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 RAB9A 2117/4885HDAC1 565/4885HPGD 2003/4885
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS IL17A, IL2, IL23R RAB9A 3436/4885HDAC1 475/4885HPGD 397/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 RAB9A 2498/4885HDAC1 2198/4885HPGD 842/4885
US-20070010509-A1 Cycloamine ccr5 receptor antagonists CCR5, CCR2, CCR1 RAB9A 2412/4885HDAC1 1001/4885HPGD 1186/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK RAB9A 2234/4885HDAC1 2631/4885HPGD 1144/4885
US-20230141212-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS IL17A, IL2, IL23R RAB9A 3436/4885HDAC1 475/4885HPGD 397/4885
US-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 RAB9A 1363/4885HDAC1 803/4885HPGD 247/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 RAB9A 2498/4885HDAC1 2198/4885HPGD 842/4885
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors CCR8, CCR1, CCR3 RAB9A 2117/4885HDAC1 565/4885HPGD 2003/4885

“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.