SCHEMBL4764893

SCHEMBL4764893

Cc1ccc(-c2nc[nH]n2)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
METAP2 P50579 1/20 0.34
S1PR1 P21453 6/20 0.33
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
S1PR3 Q99500 2/20 0.31
MTOR P42345 1/20 0.31
IDO1 P14902 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
TSHR P16473 1/20 0.30
IMPDH2 P12268 1/20 0.30

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
SCHEMBL481728 0.86 S1PR1 (0.44) NPC1RAB9AMETAP2S1PR1SMN1; SMN2
SCHEMBL10308946 0.84 NOTUM (0.41) NPC1RAB9AS1PR1HPGDSMN1; SMN2
SCHEMBL15942236 0.79 TSHR (0.43) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL10726692 0.79 ALDH1A1 (0.53) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL16181412 0.79 NISCH (0.44)
SCHEMBL10308948 0.79 ALDH1A1 (0.45) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL16720953 0.77 ALDH1A1 (0.33) HPGD
SCHEMBL26987745 0.76 IDO1 (0.39) METAP2IDO1
SCHEMBL26110328 0.74 ADH5 (0.37) NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL26953418 0.74 METAP2 (0.34) NPC1RAB9AMETAP2SMN1; SMN2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266850-A1 SUBSTITUTED TOLYL FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-09-24 US disclosed
US-20150266850-A1 SUBSTITUTED TOLYL FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-09-24 US disclosed
EP-1846372-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-16 EP disclosed
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-06 US disclosed
US-8592486-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-11-26 US disclosed
CN-101137624-B Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP 2012-12-12 CN disclosed
US-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-09-06 US disclosed
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 US disclosed
EP-1846372-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2008-12-17 EP disclosed
CN-101137624-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2008-03-05 CN disclosed
EP-1846372-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-10-24 EP disclosed
WO-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 WO disclosed
US-20060173006-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 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-20150266850-A1 SUBSTITUTED TOLYL FUNGICIDES TH, CYP1B1, CYP1A1 NPC1 693/4885RAB9A 516/4885METAP2 2930/4885
US-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 NPC1 593/4885RAB9A 965/4885METAP2 1808/4885
US-20060173006-A1 Compounds for inflammation and immune-related uses CXCL8, CCR8, CXCR2 NPC1 593/4885RAB9A 965/4885METAP2 1808/4885
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 NPC1 593/4885RAB9A 965/4885METAP2 1808/4885

“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.