SCHEMBL1780945

SCHEMBL1780945

CC1=C(c2ccc(NC(=O)c3ccncc3C)cc2)CN(c2ncccc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.47
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
TYK2 P29597 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1781207 0.94 TRPV1 (0.47) TRPV1ALDH1A1L3MBTL1HTTSMN1; SMN2
SCHEMBL1781827 0.93 TRPV1 (0.47) TRPV1ALDH1A1L3MBTL1HTTSMN1; SMN2
SCHEMBL1780548 0.86 MAPT (0.39) TRPV1ALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL1782304 0.85 TRPV1 (0.47) TRPV1ALDH1A1TYK2
SCHEMBL8235476 0.85 ALDH1A1 (0.44) TRPV1ALDH1A1L3MBTL1HTTSMN1; SMN2
SCHEMBL1784527 0.83 TRPV1 (0.49) TRPV1ALDH1A1L3MBTL1HTTHDAC6
SCHEMBL1782069 0.82 STIM1 (0.42) TRPV1ALDH1A1L3MBTL1HTTSTIM1
SCHEMBL7916089 0.82 STIM1 (0.42) TRPV1ALDH1A1L3MBTL1STIM1ORAI1
SCHEMBL8228702 0.82 PDGFRB (0.39) ALDH1A1L3MBTL1HTTSMN1; SMN2NPC1
SCHEMBL615223 0.81 KDM4E (0.43) TRPV1ALDH1A1L3MBTL1HTTSMN1; 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 11 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

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 111/4885ALDH1A1 2713/4885L3MBTL1 3920/4885
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 TRPV1 92/4885ALDH1A1 1672/4885L3MBTL1 3678/4885
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 TRPV1 92/4885ALDH1A1 1672/4885L3MBTL1 3678/4885
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 TRPV1 92/4885ALDH1A1 1672/4885L3MBTL1 3678/4885

“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.