SCHEMBL1783971

SCHEMBL1783971

CC1=C(c2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)CN(c2ccccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.45
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
SLC11A2 P49281 4/20 0.43
ALKBH3 Q96Q83 1/20 0.42
PANK3 Q9H999 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
MALT1 Q9UDY8 2/20 0.41
RCE1 Q9Y256 1/20 0.41
HPGD P15428 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
KLF5 Q13887 1/20 0.39

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
SCHEMBL7920420 0.90 TRPV1 (0.44) TRPV1KDM4EALDH1A1MAPTSLC11A2
Hydrochloric Acid SCHEMBL1782050 0.89 TRPV1 (0.44) TRPV1KDM4EALDH1A1MAPTSLC11A2
SCHEMBL7914006 0.87 JAK2 (0.47) TRPV1KDM4EALDH1A1MAPTSLC11A2
Hydrochloric Acid SCHEMBL614892 0.87 JAK2 (0.47) TRPV1KDM4EALDH1A1MAPTSLC11A2
SCHEMBL616462 0.86 NPC1 (0.47) TRPV1KDM4EALDH1A1MAPTSLC11A2
Hydrochloric Acid SCHEMBL616679 0.85 NPC1 (0.46) TRPV1KDM4EALDH1A1MAPTSLC11A2
SCHEMBL1782304 0.84 TRPV1 (0.47) TRPV1ALDH1A1MALT1ITGB1ITGA4
SCHEMBL8235476 0.84 ALDH1A1 (0.44) TRPV1KDM4EALDH1A1MAPTSLC11A2
SCHEMBL615223 0.83 KDM4E (0.43) TRPV1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL12603918 0.82 MAPT (0.47) TRPV1KDM4EALDH1A1MAPTSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-11-14 US disclosed
US-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-11-14 US disclosed
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-19 US disclosed
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-19 US disclosed
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2011-05-19 US disclosed
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2011-05-19 US disclosed
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2011-05-19 US disclosed
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-05-20 US disclosed
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-05-20 US disclosed
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-05-20 US disclosed
WO-2010039236-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-04-08 WO disclosed
WO-2010039236-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-04-08 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 (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-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, CXCL8 TRPV1 111/4885KDM4E 1360/4885ALDH1A1 2713/4885
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 TRPV1 92/4885KDM4E 2266/4885ALDH1A1 1672/4885
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 TRPV1 92/4885KDM4E 2266/4885ALDH1A1 1672/4885
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 TRPV1 92/4885KDM4E 2266/4885ALDH1A1 1672/4885

“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.