SCHEMBL5025892

SCHEMBL5025892

CSc1nc2ccccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
ALDH1A1 P00352 3/20 0.61
RAB9A P51151 2/20 0.61
RECQL P46063 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
DHFR P00374 6/20 0.61
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
POLB P06746 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
PDE4A P27815 1/20 0.58
PDE4B Q07343 1/20 0.58

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 0.83 TDP1 (0.70) LMNAL3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL6247201 0.81 TSHR (0.73) LMNAL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL18029436 0.80 TDP1 (0.63) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15541182 0.80 CYP1A2 (0.67) LMNAL3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL5030381 0.80 LMNA (1.00) LMNAL3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL11841190 0.78 P2RX4 (0.58) L3MBTL1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL212874 0.78 POLB (0.48) LMNAL3MBTL1ALDH1A1DHFRKMT2A
SCHEMBL6098546 0.78 PDE4A (0.75) LMNAL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL19487245 0.77 LMNA (0.77) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14010912 0.77 ALDH1A1 (0.66) LMNAL3MBTL1CYP1A2CYP3A4CYP2C9

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 3 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-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 421/4885CYP1A2 4871/4885
US-20050038051-A1 Novel molecules for regulating cell death AIFM1, BAX, HSPE1 LMNA 1467/4885L3MBTL1 421/4885CYP1A2 4871/4885

“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.