SCHEMBL438957

SCHEMBL438957

Cc1ccc(-c2ccno2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP19A1 P11511 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 2/20 0.37
EPHX2 P34913 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TOP1 P11387 1/20 0.35
TP53 P04637 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3925823 0.86 NOTUM (0.47) NOTUMRAB9ANPC1KDM4EALDH1A1
SCHEMBL29541595 0.83 NOTUM (0.52) NOTUMRAB9ANPC1KDM4EALDH1A1
SCHEMBL5306564 0.76 NOTUM (0.53) NOTUMRAB9ANPC1KDM4EALDH1A1
SCHEMBL8262139 0.75 MEN1 (0.49) CYP1A2CYP19A1CYP2C9CYP2C19MAPT
SCHEMBL4764281 0.73 NOTUM (0.42) NOTUMRAB9ANPC1KDM4EALDH1A1
SCHEMBL9768763 0.73 NOTUM (0.77) NOTUMRAB9ANPC1KDM4EALDH1A1
SCHEMBL14092680 0.73 ALDH1A1 (0.48) RAB9ANPC1ALDH1A1GAASMN1; SMN2
SCHEMBL2556889 0.72 RAB9A (0.65) NOTUMRAB9ANPC1KDM4EALDH1A1
SCHEMBL3867296 0.72 NOTUM (0.63) NOTUMRAB9ANPC1KDM4EALDH1A1
SCHEMBL2278361 0.70 MEN1 (0.51) NOTUMRAB9ANPC1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-07-03 US disclosed
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-07-03 US disclosed
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-07-03 US disclosed
US-8710083-B2 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-04-29 US disclosed
US-8710083-B2 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-04-29 US disclosed
US-8710083-B2 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-04-29 US disclosed
EP-1984338-B1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-01-16 EP disclosed
EP-1984338-B1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-01-16 EP disclosed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO disclosed
EP-1984338-A2 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
WO-2007089904-A2 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-09 WO disclosed
WO-2007089904-A2 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-09 WO disclosed
US-5977075-A N-aroylamino acid amides as endothelin inhibitors NOVARTIS AG (CH) 1999-11-02 US disclosed
EP-0821670-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS Novartis AG (CH) 1998-02-04 EP disclosed
WO-1996033170-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS NOVARITS AG (CH) 1996-10-24 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-20070254926-A1 Pyridylphenyl compounds for inflammation and immune-related uses CCR1, CXCR3, NLRP1 NOTUM 3960/4885RAB9A 2696/4885NPC1 947/4885
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR3, TSLP NOTUM 3242/4885RAB9A 3196/4885NPC1 3448/4885
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCR3, NLRP1 NOTUM 3960/4885RAB9A 2696/4885NPC1 947/4885

“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.