SCHEMBL10187725

SCHEMBL10187725

O=C(Nc1ccc(-n2c(C(F)(F)F)nc3ccccc32)c(Cl)c1)c1cccc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CRACR2A Q9BSW2 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
CYP2C9 P11712 1/20 0.43
GRM4 Q14833 3/20 0.43
MAPT P10636 2/20 0.41
FADS1 O60427 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.40
IDO1 P14902 1/20 0.40
MALT1 Q9UDY8 4/20 0.40
TRPV1 Q8NER1 1/20 0.40
AVPR2 P30518 1/20 0.40
AVPR1A P37288 1/20 0.40

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
SCHEMBL27717245 0.93 RAB9A (0.54) RAB9ANPC1HPGDALDH1A1SMN1; SMN2
SCHEMBL2093694 0.90 CRACR2A (0.47) RAB9ANPC1CRACR2ACYP2C9GRM4
SCHEMBL2096498 0.89 CRACR2A (0.47) RAB9ANPC1CRACR2ACYP2C9MAPT
SCHEMBL13358991 0.87 CRACR2A (0.45) RAB9ANPC1ALDH1A1CRACR2ACYP2C9
SCHEMBL2090600 0.87 RAB9A (0.45) RAB9ANPC1HPGDALDH1A1SMN1; SMN2
SCHEMBL2092861 0.86 CRACR2A (0.45) RAB9ANPC1HPGDALDH1A1CRACR2A
SCHEMBL2095448 0.86 MALT1 (0.47) CRACR2AGRM4MALT1
SCHEMBL10187707 0.84 MEN1 (0.44) RAB9ANPC1ALDH1A1CRACR2ASMN1; SMN2
SCHEMBL2092485 0.84 TRPV1 (0.43) RAB9ANPC1HPGDALDH1A1SMN1; SMN2
SCHEMBL27697216 0.83 RAB9A (0.47) RAB9ANPC1HPGDALDH1A1SMN1; SMN2

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 16 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-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-8163777-B2 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-04-24 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-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-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-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

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 RAB9A 642/4885NPC1 1500/4885HPGD 1477/4885
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 RAB9A 1725/4885NPC1 142/4885HPGD 1064/4885
US-20070249661-A1 Compounds for inflammation and immune-related uses CXCR2, CXCL8, CCR9 RAB9A 1725/4885NPC1 142/4885HPGD 1064/4885
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 RAB9A 1725/4885NPC1 142/4885HPGD 1064/4885

“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.