SCHEMBL16995673

SCHEMBL16995673

COc1cc(C)ccc1Oc1cccc(Cl)c1CNc1nnc(N)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.42
HPGD P15428 4/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
KDM1A O60341 4/20 0.41
RCOR1 Q9UKL0 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SMOX Q9NWM0 2/20 0.41
GAA P10253 1/20 0.39
LCK P06239 2/20 0.39
BTK Q06187 2/20 0.39
EIF2AK1 Q9BQI3 6/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL18353508 0.90 L3MBTL1 (0.44) L3MBTL1HPGDMAPTRAB9ANPC1
SCHEMBL16995693 0.86 MAOA (0.50) KDM1ARCOR1CYP2C19CYP1A2CYP3A4
SCHEMBL16995691 0.84 KDM1A (0.52) L3MBTL1MAPTKDM1ARCOR1SMOX
SCHEMBL16995661 0.83 KDM1A (0.48) MAPTKDM1ARCOR1SMOXLCK
SCHEMBL16995671 0.83 KDM1A (0.48) L3MBTL1MAPTRAB9AKDM1ARCOR1
SCHEMBL16995666 0.83 KDM1A (0.48) MAPTRAB9ANPC1KDM1ARCOR1
SCHEMBL16995681 0.82 KDM1A (0.50) MAPTKDM1ARCOR1SMN1; SMN2SMOX
SCHEMBL16995675 0.82 KDM1A (0.45) L3MBTL1MAPTKDM1ARCOR1CYP2C19
SCHEMBL16995658 0.79 KDM1A (0.43) L3MBTL1HPGDMAPTRAB9ANPC1
SCHEMBL16995679 0.79 DHFR (0.43) KDM1ARCOR1CYP2C9CYP2C19CYP1A2

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 L3MBTL1 2750/4885HPGD 1872/4885MAPT 1630/4885

“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.