SCHEMBL10188071

SCHEMBL10188071

CSc1nc2ccccc2n1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 7/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC22A12 Q96S37 2/20 0.47
PTGS2 P35354 1/20 0.46
TP53 P04637 1/20 0.46
NOD1 Q9Y239 1/20 0.45
HTT P42858 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
SCHEMBL10188069 0.79 PTGS2 (0.58) MAPTKMT2AL3MBTL1ALDH1A1PKM
SCHEMBL28142999 0.77 ALDH1A1 (0.64) MAPTKMT2AL3MBTL1ALDH1A1PKM
SCHEMBL2602407 0.76 ALDH1A1 (0.72) MAPTKMT2AL3MBTL1ALDH1A1PKM
SCHEMBL29116784 0.76 NOD1 (0.48) MAPTALDH1A1PKMRAB9ARXFP1
SCHEMBL2605799 0.74 ALDH1A1 (0.72) MAPTKMT2AALDH1A1PKMRAB9A
SCHEMBL12800980 0.74 ALDH1A1 (0.49) MAPTKMT2AALDH1A1PKMRAB9A
SCHEMBL1699107 0.74 NOD1 (0.46) MAPTKMT2AL3MBTL1ALDH1A1PKM
SCHEMBL3107098 0.70 ATM (0.55) MAPTKMT2AL3MBTL1ALDH1A1PKM
SCHEMBL29525910 0.70 ATM (0.55) MAPTKMT2AL3MBTL1ALDH1A1PKM
SCHEMBL6988911 0.69 MAPT (0.47) MAPTKMT2AL3MBTL1ALDH1A1PKM

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-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-8314134-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 US disclosed
US-8163777-B2 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-04-24 US disclosed
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-12-09 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
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 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 (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 MAPT 1930/4885KMT2A 3619/4885L3MBTL1 1983/4885
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 MAPT 1416/4885KMT2A 3890/4885L3MBTL1 2668/4885
US-20070249661-A1 Compounds for inflammation and immune-related uses CXCR2, CXCL8, CCR9 MAPT 1416/4885KMT2A 3890/4885L3MBTL1 2668/4885
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 MAPT 1416/4885KMT2A 3890/4885L3MBTL1 2668/4885

“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.