SCHEMBL18353528

SCHEMBL18353528

Cc1nnc(NCc2c(Cl)cccc2Oc2cccc(C)c2C)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.39
RCOR1 Q9UKL0 3/20 0.39
SMOX Q9NWM0 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EIF2AK1 Q9BQI3 5/20 0.38
ABL1 P00519 2/20 0.38
SRC P12931 2/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL18353509 0.92 KDM1A (0.42) KDM1ARCOR1SMOXEIF2AK1ABL1
SCHEMBL16995675 0.88 KDM1A (0.45) KDM1ARCOR1SMOXCYP1A2CYP3A4
SCHEMBL18353610 0.82 KDM1A (0.42) KDM1ARCOR1SMOXL3MBTL1ABL1
SCHEMBL18353618 0.81 MAPK1 (0.38) KDM1ARCOR1SMOXL3MBTL1EIF2AK1
SCHEMBL18353508 0.81 L3MBTL1 (0.44) KDM1ARCOR1CYP1A2CYP3A4CYP2C19
SCHEMBL18353476 0.81 KDM1A (0.43) KDM1ARCOR1SMOXL3MBTL1EIF2AK1
SCHEMBL16995666 0.80 KDM1A (0.48) KDM1ARCOR1SMOXEIF2AK1ABL1
SCHEMBL18353522 0.80 KDM1A (0.43) KDM1ARCOR1SMOXL3MBTL1ABL1
SCHEMBL18353764 0.79 KDM1A (0.41) KDM1ARCOR1SMOXL3MBTL1KMT2A
SCHEMBL18353525 0.79 MAOA (0.44) KDM1ARCOR1SMOXCYP1A2CYP2C19

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.