SCHEMBL5030381

SCHEMBL5030381

C=CCSc1nc2ccccc2c(=O)n1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
DHFR P00374 10/20 0.75
CYP1A2 P05177 2/20 0.71
CYP2C9 P11712 2/20 0.71
CYP2C19 P33261 2/20 0.71
CYP3A4 P08684 1/20 0.63
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 3/20 0.57
POLB P06746 1/20 0.56
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
RECQL P46063 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL15552139 0.81 TDP1 (0.70) LMNAL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL5025892 0.80 LMNA (0.66) LMNAL3MBTL1DHFRCYP1A2CYP2C9
SCHEMBL15541182 0.80 CYP1A2 (0.67) LMNAL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL14010912 0.75 ALDH1A1 (0.66) LMNAL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL8368585 0.72 L3MBTL1 (0.64) LMNAL3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL14010915 0.72 TP53 (0.72) LMNAL3MBTL1ALDH1A1POLBTSHR
SCHEMBL5026010 0.72 MAPT (0.67) LMNAL3MBTL1DHFRALDH1A1POLB
SCHEMBL14407557 0.71 PDE4A (0.68) LMNAL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL6556059 0.71 PDE4A (0.68) LMNAL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL1520389 0.70 PTGDR2 (0.68) ALDH1A1

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 LMNA 1467/4885L3MBTL1 421/4885DHFR 2710/4885
US-20050038051-A1 Novel molecules for regulating cell death AIFM1, BAX, HSPE1 LMNA 1467/4885L3MBTL1 421/4885DHFR 2710/4885

“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.