SCHEMBL437873

SCHEMBL437873

O=C(Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)cn1)c1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ABL1 P00519 1/20 0.45
POLB P06746 1/20 0.44
VCP P55072 1/20 0.43
TRPM4 Q8TD43 1/20 0.42
HDAC2 Q92769 2/20 0.41
GRM4 Q14833 1/20 0.41
ABCB1 P08183 1/20 0.41

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
SCHEMBL437850 0.89 NPC1 (0.43) SMN1; SMN2TDP1NPC1RAB9AKDM4E
SCHEMBL2813073 0.89 IL2 (0.47) SMN1; SMN2TDP1NPC1RAB9AALDH1A1
SCHEMBL438987 0.87 L3MBTL1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1RXFP1
SCHEMBL438956 0.85 STIM1 (0.50) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL449981 0.83 IL2 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1ABL1
SCHEMBL2815050 0.82 ABCB1 (0.42) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL6110099 0.78 STIM1 (0.51) ABL1
SCHEMBL440417 0.78 NAMPT (0.43) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL450945 0.78 STIM1 (0.61) VCPTRPM4
SCHEMBL12155410 0.78 SMN1; SMN2 (0.59) SMN1; SMN2TDP1NPC1RAB9AKDM4E

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-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US claimed
EP-2182808-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-12 EP claimed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO claimed
US-8642720-B2 Photoelectric conversion element, method of manufacturing photoelectric conversion element and solar cell KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2014-02-04 US disclosed
US-20120060927-A1 PHOTOELECTRIC CONVERSION ELEMENT, METHOD OF MANUFACTURING PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 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
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
EP-2182808-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-12 EP disclosed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO disclosed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 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 (1 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-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR3, TSLP SMN1; SMN2 4808/4885TDP1 3352/4885NPC1 3448/4885

“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.