SCHEMBL13031107

SCHEMBL13031107

CC(C)n1c(O)nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
LMNA P02545 3/20 0.57
HSD17B10 Q99714 3/20 0.56
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 5/20 0.55
HPGD P15428 3/20 0.53
TP53 P04637 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 3/20 0.51
POLB P06746 3/20 0.50
MAPT P10636 2/20 0.50
ALPG P10696 1/20 0.50
ATM Q13315 2/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL13637331 0.82 ALDH1A1 (0.57) TSHRLMNAHSD17B10ALDH1A1KDM4E
SCHEMBL1980314 0.78 HSD17B10 (0.57) TSHRLMNAHSD17B10ALDH1A1KDM4E
SCHEMBL2854775 0.78 HSD17B10 (0.57) TSHRLMNAHSD17B10ALDH1A1KDM4E
Bromide SCHEMBL1982279 0.77 HSD17B10 (0.56) TSHRLMNAHSD17B10ALDH1A1KDM4E
SCHEMBL1128688 0.77 SMN1; SMN2 (0.60) TSHRLMNAHSD17B10ALDH1A1KDM4E
SCHEMBL32688283 0.77 HSD17B10 (0.56) TSHRLMNAHSD17B10ALDH1A1KDM4E
SCHEMBL1104440 0.77 HSD17B10 (0.56) TSHRLMNAHSD17B10ALDH1A1KDM4E
SCHEMBL10098954 0.77 LMNA (0.66) TSHRLMNAHSD17B10ALDH1A1KDM4E
SCHEMBL13071409 0.77 MEN1 (0.45) TSHRLMNAHSD17B10KDM4EKMT2A
SCHEMBL859880 0.77 POLB (0.61) TSHRLMNAHSD17B10ALDH1A1KDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-7282504-B2 Kinase inhibitors AMGEN INC. (US) 2007-10-16 US disclosed
US-7282504-B2 Kinase inhibitors AMGEN INC. (US) 2007-10-16 US disclosed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 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 (3 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-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CX3CR1 TSHR 439/4885LMNA 4820/4885HSD17B10 2049/4885
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators CXCR3, CXCR1, CXCR5 TSHR 874/4885LMNA 4866/4885HSD17B10 3725/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 TSHR 697/4885LMNA 4877/4885HSD17B10 1901/4885

“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.