SCHEMBL18353476

SCHEMBL18353476

CSc1ccc(Oc2cccc(Cl)c2CNc2nnc(C)[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.43
RCOR1 Q9UKL0 3/20 0.43
SMOX Q9NWM0 2/20 0.43
MAOA P21397 1/20 0.41
LMNA P02545 2/20 0.38
SLC6A4 P31645 4/20 0.38
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
EIF2AK1 Q9BQI3 1/20 0.37
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
DPP4 P27487 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GAA P10253 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL16995690 0.88 KDM1A (0.50) KDM1ARCOR1SMOXMAOALMNA
SCHEMBL18353764 0.87 KDM1A (0.41) KDM1ARCOR1SMOXMAOALMNA
SCHEMBL18353522 0.86 KDM1A (0.43) KDM1ARCOR1SMOXMAOALMNA
SCHEMBL18353610 0.84 KDM1A (0.42) KDM1ARCOR1SMOXMAOALMNA
SCHEMBL18353509 0.81 KDM1A (0.42) KDM1ARCOR1SMOXLMNASLC6A4
SCHEMBL18353528 0.81 KDM1A (0.39) KDM1ARCOR1SMOXMAPTKMT2A
SCHEMBL18353479 0.81 KDM1A (0.40) KDM1ARCOR1SMOXMAOALMNA
SCHEMBL18353602 0.79 KDM1A (0.41) KDM1ARCOR1SMOXMAOALMNA
SCHEMBL16995691 0.79 KDM1A (0.52) KDM1ARCOR1SMOXMAOALMNA
SCHEMBL18353611 0.77 KDM1A (0.37) KDM1ARCOR1SMOXMAOALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001968-A1 AMINOTRIAZOLE- AND AMINOTETRAZOLE-BASED KDM1A INHIBITORS AS EPIGENETIC MODULATORS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-01-05 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-20170001968-A1 AMINOTRIAZOLE- AND AMINOTETRAZOLE-BASED KDM1A INHIBITORS AS EPIGENETIC MODULATORS KDM1A, KDM1B, KDM3A KDM1A 1/4885RCOR1 488/4885SMOX 41/4885

“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.