SCHEMBL16995685

SCHEMBL16995685

Clc1ccccc1CNc1nc[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42
CHRM2 P08172 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL16995677 0.83 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL16995669 0.81 L3MBTL1 (0.62) LMNAHTTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL16995668 0.81 MAPT (0.49) HDAC1HDAC6LMNAHTTALDH1A1
SCHEMBL7154433 0.80 CA12 (0.53) LMNAHTTRAB9ANPC1SMN1; SMN2
SCHEMBL28357732 0.77 VNN1 (0.49) HDAC3HDAC1HDAC2HDAC6LMNA
SCHEMBL18353997 0.75 ABL1 (0.51) HDAC3HDAC1HDAC2HDAC6CYP3A4
SCHEMBL11887862 0.74 VNN1 (0.51) HDAC3HDAC1HDAC2HDAC6LMNA
SCHEMBL22191019 0.72 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC6LMNA
SCHEMBL18353487 0.72 HDAC1 (0.55) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL20511447 0.72 TSHR (0.52) HDAC3HDAC1HDAC2HDAC6HTT

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.