SCHEMBL10187682

SCHEMBL10187682

Cn1c([S+](C)[O-])nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.53
ATM Q13315 1/20 0.50
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 7/20 0.47
GAA P10253 3/20 0.47
RAB9A P51151 7/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 6/20 0.44
PKM P14618 4/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
CASP6 P55212 1/20 0.44

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
SCHEMBL10239604 0.77 HSD17B10 (0.50) SMN1; SMN2ATMALDH1A1KDM4EGAA
SCHEMBL19385853 0.77 SMN1; SMN2 (0.45) SMN1; SMN2ATMALDH1A1KDM4EGAA
SCHEMBL19385852 0.77 SMN1; SMN2 (0.45) SMN1; SMN2ATMALDH1A1KDM4EGAA
SCHEMBL10333592 0.76 MAPT (0.46) SMN1; SMN2ATMALDH1A1KDM4EGAA
SCHEMBL10333078 0.74 RAB9A (0.43) SMN1; SMN2ATMALDH1A1KDM4EGAA
SCHEMBL20875170 0.74 SMN1; SMN2 (0.41) SMN1; SMN2ATMALDH1A1KDM4EGAA
SCHEMBL19385875 0.74 NPC1 (0.53) SMN1; SMN2ALDH1A1GAARAB9AKMT2A
SCHEMBL20875168 0.74 NPC1 (0.45) SMN1; SMN2ALDH1A1KDM4EGAARAB9A
SCHEMBL20875167 0.74 NPC1 (0.45) SMN1; SMN2ALDH1A1KDM4EGAARAB9A
SCHEMBL19385845 0.74 SMN1; SMN2 (0.41) SMN1; SMN2ATMALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130454-A1 INK COMPOSITION SEIKO EPSON CORPORATION (JP) 2016-05-12 US disclosed
US-8524756-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
US-8524756-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-06 US disclosed
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-06 US disclosed
US-8163777-B2 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-04-24 US disclosed
US-7709518-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2010-05-04 US disclosed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 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 (2 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-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses NLRP3, CXCR1, CXCR2 SMN1; SMN2 4630/4885ATM 2080/4885ALDH1A1 2568/4885
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 SMN1; SMN2 4722/4885ATM 2089/4885ALDH1A1 1952/4885

“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.