SCHEMBL16995691

SCHEMBL16995691

Cc1ccc(Oc2cccc(Cl)c2CNc2nnc(N)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.52
RCOR1 Q9UKL0 3/20 0.52
SMOX Q9NWM0 2/20 0.52
DPP4 P27487 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 3/20 0.36
ACHE P22303 3/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 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
SCHEMBL16995671 0.90 KDM1A (0.48) KDM1ARCOR1SMOXDPP4LMNA
SCHEMBL16995714 0.90 KDM1A (0.64) KDM1ARCOR1SMOXDPP4LMNA
SCHEMBL16995690 0.89 KDM1A (0.50) KDM1ARCOR1SMOXDPP4LMNA
SCHEMBL16995663 0.88 KDM1A (0.49) KDM1ARCOR1SMOXDPP4LMNA
SCHEMBL16995660 0.86 KDM1A (0.49) KDM1ARCOR1SMOXDPP4LMNA
SCHEMBL16995661 0.85 KDM1A (0.48) KDM1ARCOR1SMOXDPP4LMNA
SCHEMBL16995719 0.85 KDM1A (0.48) KDM1ARCOR1SMOXLMNAMAPT
SCHEMBL16995666 0.85 KDM1A (0.48) KDM1ARCOR1SMOXDPP4LMNA
SCHEMBL18359066 0.85 KDM1A (0.48) KDM1ARCOR1SMOXDPP4LMNA
SCHEMBL16995681 0.84 KDM1A (0.50) KDM1ARCOR1SMOXDPP4LMNA

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 2 patents. 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
WO-2015120281-A1 AMINOTRIAZOLE- AND AMINOTETRAZOLE-BASED KDM1A INHIBITORS AS EPIGENETIC MODULATORS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2015-08-13 WO 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.