SCHEMBL2087985

SCHEMBL2087985

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.59
MAPT P10636 6/20 0.48
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SCD O00767 2/20 0.45
LMNA P02545 2/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
IRAK4 Q9NWZ3 2/20 0.44
IRAK1 P51617 1/20 0.44
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41
PAX8 Q06710 1/20 0.41

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
SCHEMBL2093544 0.93 SCD (0.54) ALOX5MAPTALDH1A1NPC1RAB9A
SCHEMBL2093714 0.92 MAPT (0.61) ALOX5MAPTALDH1A1NPC1RAB9A
SCHEMBL2091559 0.86 ABCG2 (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10187893 0.86 ABCG2 (0.42) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL15000692 0.86 SMN1; SMN2 (0.47) ALOX5MAPTNPC1RAB9AMEN1
SCHEMBL2091547 0.85 TAS1R3 (0.43) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2094162 0.85 RAB9A (0.52) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2096110 0.85 ABCG2 (0.54) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL2092680 0.84 MEN1 (0.51) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL2092909 0.84 SMN1; SMN2 (0.53) MAPTALDH1A1NPC1RAB9AMEN1

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 35 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-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
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 (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-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 ALOX5 276/4885MAPT 1416/4885ALDH1A1 1952/4885
US-20070249661-A1 Compounds for inflammation and immune-related uses CXCR2, CXCL8, CCR9 ALOX5 276/4885MAPT 1416/4885ALDH1A1 1952/4885
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 ALOX5 276/4885MAPT 1416/4885ALDH1A1 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.