SCHEMBL963271

SCHEMBL963271

Cc1nccc2c([N+](=O)[O-])csc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MEN1 O00255 4/20 0.39
GAA P10253 2/20 0.37
PAX8 Q06710 1/20 0.36
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CTSB P07858 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATIC P31939 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 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
SCHEMBL10480000 0.74 SMN1; SMN2 (0.36) KMT2ASMN1; SMN2MEN1ALDH1A1KDM4E
SCHEMBL14980104 0.73 CYP2A6 (0.36) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL619830 0.70 TDP1 (0.62) KMT2ASMN1; SMN2MEN1GAAPAX8
SCHEMBL2773204 0.70 TDP1 (0.54) KMT2ASMN1; SMN2MEN1GAAPAX8
Bromide SCHEMBL11815117 0.69 TDP1 (0.60) KMT2ASMN1; SMN2MEN1GAAPAX8
SCHEMBL29401720 0.68 TDP1 (0.52) KMT2ASMN1; SMN2MEN1GAAPAX8
Hydrochloric Acid SCHEMBL27643164 0.68 TDP1 (0.52) KMT2ASMN1; SMN2MEN1GAAPAX8
SCHEMBL12946391 0.68 CYP2A6 (0.32) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL29532913 0.67 CYP1A2 (0.43) KMT2ASMN1; SMN2MEN1GAAPAX8
SCHEMBL27306171 0.67 CYP1A2 (0.43) KMT2ASMN1; SMN2MEN1GAAPAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501769-B2 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. (US) 2013-08-06 US disclosed
US-20110082170-A1 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-07 US disclosed
US-7875627-B2 e.g.1-(4-Chloro-benzyl)-3-(2-methyl-thieno[2,3-c]pyridin-3-yl)-urea; 2-Methyl-thieno[2,3-c]pyridin-3-yl)-carbamic acid 4-trifluoromethylsulfanyl-benzyl ester; controlling pain, urinary incontinence, bladder overactivity, and inflammatory thermal hyperalgesia in mammals ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
EP-1824860-A2 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2007-08-29 EP disclosed
US-20060148843-A1 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. 2006-07-06 US disclosed
WO-2006063178-A2 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-15 WO disclosed
EP-0292051-A2 Thienopyridine derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1988-11-23 EP 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 (2 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-20060148843-A1 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof TRPV1, GPR55, P2RX6 KMT2A 3656/4885SMN1; SMN2 3069/4885MEN1 4696/4885
US-20110082170-A1 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF TRPV1, GPR55, P2RX6 KMT2A 3656/4885SMN1; SMN2 3069/4885MEN1 4696/4885

“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.