SCHEMBL5025862

SCHEMBL5025862

Clc1ccc(Nc2nc3nonc3nc2NCCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
POLB P06746 2/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 3/20 0.44
APP P05067 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
EGFR P00533 1/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR1 P21554 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL26035520 0.87 MAPT (0.48) MAPTSMN1; SMN2POLBTP53HTT
SCHEMBL3050870 0.81 SMN1; SMN2 (0.65) MAPTSMN1; SMN2POLBTP53HTT
SCHEMBL21500013 0.76 POLB (0.46) MAPTSMN1; SMN2POLBHTTAPP
SCHEMBL3060967 0.75 MAPT (0.56) MAPTSMN1; SMN2POLBTP53HTT
SCHEMBL3051333 0.74 MAPT (0.54) MAPTSMN1; SMN2POLBTP53HTT
SCHEMBL17249531 0.74 GAA (0.66) MAPTSMN1; SMN2POLBTP53HTT
SCHEMBL3907319 0.73 L3MBTL1 (0.70) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL26035496 0.72 MAPT (0.57) MAPTSMN1; SMN2POLBTP53HTT
SCHEMBL22542703 0.72 GAA (0.48) MAPTSMN1; SMN2POLBTP53HTT
SCHEMBL21499795 0.71 MAPT (0.54) MAPTSMN1; SMN2POLBTP53HTT

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 3063/4885SMN1; SMN2 2685/4885POLB 3457/4885
US-20050038051-A1 Novel molecules for regulating cell death AIFM1, BAX, HSPE1 MAPT 3063/4885SMN1; SMN2 2685/4885POLB 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.