SCHEMBL5026010

SCHEMBL5026010

C=CCSc1nc2ccccc2c(=O)n1-c1cccc(C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
NPSR1 Q6W5P4 1/20 0.67
PDE7A Q13946 3/20 0.58
ALDH1A1 P00352 5/20 0.56
PLA2G1B P04054 2/20 0.56
ATG4B Q9Y4P1 2/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
GAA P10253 2/20 0.55
RAB9A P51151 1/20 0.55
DHFR P00374 1/20 0.55
PDE7B Q9NP56 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 1/20 0.54
KDM4E B2RXH2 1/20 0.53
TP53 P04637 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
SCHEMBL5026021 0.86 PDE7A (0.79) MAPTNPSR1PDE7AALDH1A1PLA2G1B
SCHEMBL5030398 0.82 MAPT (0.67) MAPTNPSR1PDE7AALDH1A1PLA2G1B
SCHEMBL5026794 0.77 LMNA (0.64) MAPTNPSR1ALDH1A1PLA2G1BATG4B
SCHEMBL1962312 0.77 HSD17B10 (0.77) MAPTALDH1A1PLA2G1BATG4BMAPK1
SCHEMBL14010915 0.76 TP53 (0.72) MAPTALDH1A1TSHRLMNAL3MBTL1
SCHEMBL18239988 0.74 PDE7A (1.00) PDE7AALDH1A1PLA2G1BATG4BTSHR
SCHEMBL4391268 0.74 PDE10A (0.65) MAPTNPSR1ALDH1A1PLA2G1BATG4B
SCHEMBL9670686 0.73 PDE7A (0.73) MAPTNPSR1PDE7AALDH1A1PLA2G1B
SCHEMBL17487055 0.72 PSD (0.82) MAPTALDH1A1LMNAL3MBTL1MEN1
SCHEMBL14826491 0.72 ALDH1A1 (0.70) MAPTNPSR1ALDH1A1PLA2G1BATG4B

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-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
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-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

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 MAPT 3063/4885NPSR1 4475/4885PDE7A 3847/4885
US-20050038051-A1 Novel molecules for regulating cell death AIFM1, BAX, HSPE1 MAPT 3063/4885NPSR1 4475/4885PDE7A 3847/4885

“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.