SCHEMBL16995677

SCHEMBL16995677

Clc1cccc(Cl)c1CNc1nc[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
ABL1 P00519 2/20 0.44
SRC P12931 2/20 0.44
KDM1A O60341 3/20 0.44
RCOR1 Q9UKL0 3/20 0.44
SMOX Q9NWM0 2/20 0.44
LCK P06239 5/20 0.43
BTK Q06187 5/20 0.43
MAPK14 Q16539 4/20 0.43
TP53 P04637 1/20 0.39
FYN P06241 1/20 0.39
LYN P07948 1/20 0.39
MAPT P10636 1/20 0.39
BMX P51813 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX7 Q99572 1/20 0.38
EIF2AK1 Q9BQI3 2/20 0.38

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
SCHEMBL18353997 0.91 ABL1 (0.51) HDAC3HDAC1HDAC2HDAC6ABL1
SCHEMBL16995685 0.83 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC6TP53
SCHEMBL11887862 0.76 VNN1 (0.51) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL28357732 0.76 VNN1 (0.49) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL16995668 0.73 MAPT (0.49) HDAC1HDAC6MAPTP2RX7EIF2AK1
Hydrochloric Acid SCHEMBL11551221 0.73 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC6LCK
SCHEMBL10906675 0.72 KLKB1 (0.50) MAPTSMN1; SMN2P2RX7
SCHEMBL16995669 0.72 L3MBTL1 (0.62) TP53MAPTSMN1; SMN2P2RX7
SCHEMBL2633350 0.70 MAOA (0.56) HDAC3HDAC1HDAC2HDAC6TP53
SCHEMBL13668646 0.69

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 HDAC3 127/4885HDAC1 60/4885HDAC2 76/4885

“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.