SCHEMBL2093544

SCHEMBL2093544

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.54
MAPT P10636 9/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
ALOX5 P09917 1/20 0.48
RAB9A P51151 5/20 0.48
NPC1 O15118 5/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
HTT P42858 1/20 0.48
ABCG2 Q9UNQ0 2/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
PAX8 Q06710 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2087985 0.93 ALOX5 (0.59) SCDMAPTLMNAALDH1A1TP53
SCHEMBL2093714 0.91 MAPT (0.61) MAPTLMNAALDH1A1ALOX5RAB9A
SCHEMBL2096110 0.89 ABCG2 (0.54) MAPTALDH1A1TP53RAB9ANPC1
SCHEMBL2094909 0.89 SCD (0.51) SCDMAPTLMNAALDH1A1RAB9A
SCHEMBL2095612 0.88 RAB9A (0.53) MAPTLMNAALDH1A1TP53RAB9A
SCHEMBL13324347 0.88 RAB9A (0.47) SCDMAPTALDH1A1TP53RAB9A
SCHEMBL2091698 0.87 ABCG2 (0.46) MAPTALDH1A1TP53RAB9ANPC1
SCHEMBL2096504 0.87 ORAI1 (0.48) MAPTLMNAALDH1A1TP53RAB9A
SCHEMBL2092576 0.87 TRPV1 (0.48) MAPTLMNAALDH1A1TP53RAB9A
SCHEMBL2094162 0.87 RAB9A (0.52) MAPTLMNARAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314134-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 US claimed
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-12-09 US claimed
US-7709518-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2010-05-04 US claimed
EP-1809294-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2008-08-06 EP claimed
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US claimed
EP-1809294-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-07-25 EP claimed
WO-2006034402-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICAL CORP. (US) 2006-03-30 WO claimed
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-8314134-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 US disclosed
US-8314134-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 US disclosed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
WO-2007112093-A2 BENZIMIDAZOLYL-PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-10-04 WO disclosed
EP-1809294-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-07-25 EP disclosed
WO-2006034402-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICAL CORP. (US) 2006-03-30 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 (4 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 SCD 4651/4885MAPT 1930/4885LMNA 3912/4885
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 SCD 2677/4885MAPT 1416/4885LMNA 1685/4885
US-20070249661-A1 Compounds for inflammation and immune-related uses CXCR2, CXCL8, CCR9 SCD 2677/4885MAPT 1416/4885LMNA 1685/4885
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 SCD 2677/4885MAPT 1416/4885LMNA 1685/4885

“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.