SCHEMBL5028796

SCHEMBL5028796

O=c1c2ccccc2nc(S)n1-c1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.57
ALDH1A1 P00352 5/20 0.57
POLB P06746 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
IDO1 P14902 3/20 0.57
TDO2 P48775 3/20 0.57
IDO2 Q6ZQW0 3/20 0.57
TP53 P04637 1/20 0.56
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
NTRK1 P04629 1/20 0.49
ALOX5 P09917 1/20 0.49
MAPT P10636 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL9670692 0.83 LMNA (0.58) LMNAALDH1A1POLBSMN1; SMN2IDO1
SCHEMBL5028779 0.82 ALDH1A1 (0.73) LMNAALDH1A1SMN1; SMN2IDO1TDO2
Mecloqualone SCHEMBL30726100 0.82 ALDH1A1 (0.73) LMNAALDH1A1POLBSMN1; SMN2IDO1
Mecloqualone SCHEMBL30726104 0.82 ALDH1A1 (0.73) LMNAALDH1A1POLBSMN1; SMN2IDO1
Mecloqualone SCHEMBL113419 0.82 ALDH1A1 (0.73) LMNAALDH1A1POLBSMN1; SMN2IDO1
Mecloqualone SCHEMBL29437131 0.82 ALDH1A1 (0.73) LMNAALDH1A1POLBSMN1; SMN2IDO1
SCHEMBL1129120 0.81 ALDH1A1 (0.54) LMNAALDH1A1POLBSMN1; SMN2IDO1
SCHEMBL4393532 0.79 ALDH1A1 (0.63) LMNAALDH1A1POLBSMN1; SMN2IDO1
SCHEMBL6215609 0.79 LMNA (0.67) LMNAALDH1A1POLBSMN1; SMN2IDO1
SCHEMBL9670555 0.79 NPC1 (0.58) LMNAALDH1A1POLBSMN1; SMN2KDM4E

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 LMNA 1467/4885ALDH1A1 4015/4885POLB 3457/4885
US-20050038051-A1 Novel molecules for regulating cell death AIFM1, BAX, HSPE1 LMNA 1467/4885ALDH1A1 4015/4885POLB 3457/4885

“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.