SCHEMBL4432783

SCHEMBL4432783

O=C(Nc1ccc2cnccc2c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 5/20 0.65
SMN1; SMN2 Q16637 2/20 0.63
POLB P06746 1/20 0.63
STAT3 P40763 1/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
NAMPT P43490 2/20 0.63
LMNA P02545 1/20 0.63
GAA P10253 1/20 0.63
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 1/20 0.60
ROCK2 O75116 4/20 0.57
ROCK1 Q13464 2/20 0.57
PRMT3 O60678 1/20 0.55
PTPN1 P18031 1/20 0.54
DEGS1 O15121 1/20 0.54
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KCNQ3 O43525 1/20 0.53

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
SCHEMBL4427355 0.95 SMN1; SMN2 (0.63) IMPDH2SMN1; SMN2POLBSTAT3NPC1
SCHEMBL3111893 0.92 IMPDH2 (0.72) IMPDH2SMN1; SMN2NPC1RAB9ANAMPT
SCHEMBL28347348 0.86 NPC1 (0.70) IMPDH2SMN1; SMN2NPC1RAB9ANAMPT
SCHEMBL14082588 0.86 NPC1 (0.74) SMN1; SMN2POLBNPC1RAB9ANAMPT
SCHEMBL20353544 0.84 POLB (0.59) IMPDH2SMN1; SMN2POLBNPC1RAB9A
SCHEMBL26885202 0.81 NPC1 (0.77) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL14124401 0.81 IMPDH2 (0.61) IMPDH2SMN1; SMN2POLBNPC1RAB9A
SCHEMBL24124828 0.81 PRMT3 (0.61) IMPDH2SMN1; SMN2POLBNPC1RAB9A
SCHEMBL26885197 0.80 PTPN1 (0.73) NPC1RAB9AMEN1KMT2APTPN1
SCHEMBL20353575 0.79 IMPDH2 (1.00) IMPDH2NPC1RAB9AROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
EP-1480954-B1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2008-12-03 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 IMPDH2 4497/4885SMN1; SMN2 3167/4885POLB 4767/4885

“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.