SCHEMBL5028783

SCHEMBL5028783

Cc1ccc(-n2c(S)nc3ccccc3c2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
ALDH1A1 P00352 7/20 0.63
NPSR1 Q6W5P4 2/20 0.61
RAB9A P51151 1/20 0.59
TP53 P04637 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPK1 P28482 1/20 0.55
PDE10A Q9Y233 1/20 0.54
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.52
MDM2 Q00987 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL9670555 0.89 NPC1 (0.58) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL2631381 0.84 MAPK1 (0.74) SMN1; SMN2ALDH1A1NPSR1RAB9ATP53
SCHEMBL9672724 0.84 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1NPSR1RAB9AMEN1
SCHEMBL5026794 0.84 LMNA (0.64) SMN1; SMN2ALDH1A1NPSR1TP53MEN1
SCHEMBL9670132 0.84 POLB (0.57) SMN1; SMN2ALDH1A1POLB
SCHEMBL28367595 0.82 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1NPSR1RAB9ATP53
SCHEMBL29175098 0.82 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1NPSR1RAB9ATP53
SCHEMBL28324629 0.82 ALDH1A1 (0.84) SMN1; SMN2ALDH1A1NPSR1RAB9AMEN1
SCHEMBL9670704 0.81 HPGD (0.61) SMN1; SMN2ALDH1A1RAB9ATP53MEN1
SCHEMBL9972171 0.79 LMNA (0.74) SMN1; SMN2ALDH1A1NPSR1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005051974-A2 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-06-09 WO claimed
US-20050038051-A1 Novel molecules for regulating cell death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 US claimed
US-8450333-B2 Molecules for regulating cell death THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-28 US disclosed
US-20080287473-A1 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-20 US disclosed
WO-2005051974-A2 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-06-09 WO disclosed
US-20050038051-A1 Novel molecules for regulating cell death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 US disclosed
EP-0276825-B1 4 (3H)-QUINAZOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-09-09 EP disclosed
US-5008266-A Antiulcer agent NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-04-16 US disclosed
US-4861780-A 4(3H)-quinazolinone derivatives and pharmaceutical compositions NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-08-29 US disclosed
EP-0276825-A1 4 (3H)-Quinazolinone derivatives, processes for their preparation and pharmaceutical compositions NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-08-03 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-20080287473-A1 NOVEL MOLECULES FOR REGULATING CELL DEATH AIFM1, BAX, HSPE1 SMN1; SMN2 2685/4885ALDH1A1 4015/4885NPSR1 4475/4885
US-20050038051-A1 Novel molecules for regulating cell death AIFM1, BAX, HSPE1 SMN1; SMN2 2685/4885ALDH1A1 4015/4885NPSR1 4475/4885

“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.