SCHEMBL18353602

SCHEMBL18353602

Cc1nnc(NCc2c(Cl)cccc2Oc2ccc3c(c2)OCO3)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
RCOR1 Q9UKL0 2/20 0.41
EIF2AK1 Q9BQI3 1/20 0.39
PIK3CD O00329 1/20 0.38
SMOX Q9NWM0 2/20 0.37
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
ALDH2 P05091 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
SCHEMBL16995678 0.88 KDM1A (0.48) KDM1ARCOR1EIF2AK1PIK3CDSMOX
SCHEMBL18353610 0.81 KDM1A (0.42) KDM1ARCOR1SMOXMAOARAB9A
SCHEMBL18353476 0.79 KDM1A (0.43) KDM1ARCOR1EIF2AK1SMOXMAOA
SCHEMBL18353522 0.79 KDM1A (0.43) KDM1ARCOR1SMOXMAOAALDH1A1
SCHEMBL18353479 0.78 KDM1A (0.40) KDM1ARCOR1EIF2AK1SMOXMAOA
SCHEMBL18353509 0.77 KDM1A (0.42) KDM1ARCOR1EIF2AK1SMOXNPC1
SCHEMBL18353764 0.76 KDM1A (0.41) KDM1ARCOR1SMOXMAOARAB9A
SCHEMBL18353528 0.76 KDM1A (0.39) KDM1ARCOR1EIF2AK1SMOXRAB9A
SCHEMBL18353611 0.74 KDM1A (0.37) KDM1ARCOR1SMOXMAOARAB9A
SCHEMBL18353618 0.73 MAPK1 (0.38) KDM1ARCOR1EIF2AK1SMOXRAB9A

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 488/4885EIF2AK1 2189/4885

“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.