SCHEMBL12349572

SCHEMBL12349572

O=c1c2ccccc2nc2n1CCS2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.83
MAPT P10636 6/20 0.83
LMNA P02545 1/20 0.83
CYP2C19 P33261 3/20 0.53
CYP1A2 P05177 3/20 0.53
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.53
KDM4E B2RXH2 8/20 0.53
TDP1 Q9NUW8 3/20 0.53
HSD17B10 Q99714 3/20 0.53
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
USP2 O75604 1/20 0.53
CFTR P13569 1/20 0.53
ALOX15 P16050 1/20 0.53
HKDC1 Q2TB90 1/20 0.53
GOPC Q9HD26 1/20 0.53
HPGD P15428 3/20 0.52
KMT2A Q03164 2/20 0.51

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
SCHEMBL6295225 0.89 ALDH1A1 (0.91) ALDH1A1MAPTLMNACYP1A2KDM4E
SCHEMBL8121950 0.78 MAPT (0.53) ALDH1A1MAPTLMNACYP2C19CYP1A2
SCHEMBL839648 0.76 ALDH1A1 (0.55) ALDH1A1MAPTLMNACYP2C19CYP1A2
SCHEMBL7007301 0.75 ALDH1A1 (0.57) ALDH1A1MAPTLMNACYP1A2KDM4E
SCHEMBL8120744 0.75 GRM1 (0.51) ALDH1A1MAPTLMNAALOX15HPGD
Hydrochloric Acid SCHEMBL11675656 0.75 ALDH1A1 (0.54) ALDH1A1MAPTLMNACYP2C19CYP1A2
SCHEMBL6299773 0.74 ALDH1A1 (0.67) ALDH1A1MAPTLMNACYP2C19CYP1A2
SCHEMBL23578376 0.73 MAPT (0.62) ALDH1A1MAPTLMNACYP2C19CYP1A2
SCHEMBL9533570 0.73 ALDH1A1 (0.59) ALDH1A1MAPTLMNACYP1A2GAA
SCHEMBL8124560 0.72 MAPK1 (0.54) ALDH1A1MAPTLMNACYP2C19CYP1A2

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-8450333-B2 Molecules for regulating cell death THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-28 US disclosed
US-8450333-B2 Molecules for regulating cell death THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-28 US disclosed
US-7994182-B2 Quinazolinone-derivatives and their use for preparation of pharmaceutical compositions having PARP enzyme inhibitory effect PECSI TUDOMANYEGYETEM (HU) 2011-08-09 US disclosed
EP-1622881-B1 QUINAZOLINONE-DERIVATIVES AND THEIR USE FOR PREPARATION OF PHARMACEUTICAL COMPOSITIONS HAVING PARP ENZYME INHIBITORY EFFECT PECSI TUDOMANYEGYETEM (HU) 2010-05-26 EP disclosed
US-20080287473-A1 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-20 US disclosed
US-20080287473-A1 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-20 US disclosed
US-20070042935-A1 Quinazolinone-derivatives and their use for preparation of pharmaceutical compositions having parp enzyme inhibitory effect PECSI TUDOMANYEGYETEM (HU) 2007-02-22 US 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-20080287473-A1 NOVEL MOLECULES FOR REGULATING CELL DEATH AIFM1, BAX, HSPE1 ALDH1A1 4015/4885MAPT 3063/4885LMNA 1467/4885

“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.