SCHEMBL16995668

SCHEMBL16995668

Clc1ccc(CNc2nc[nH]n2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC2A1 P11166 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
GPR39 O43194 1/20 0.43
P2RX7 Q99572 1/20 0.42
EIF2AK1 Q9BQI3 1/20 0.42
EPHX2 P34913 1/20 0.42
MAPK1 P28482 1/20 0.42
NLRP1 Q9C000 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL18353487 0.85 HDAC1 (0.55) HPGDNPSR1P2RX7MAPK1ALDH1A1
SCHEMBL16995685 0.81 HDAC3 (0.51) TSHRLMNAHTTMAPK1ALDH1A1
SCHEMBL11887862 0.78 VNN1 (0.51) MAPTLMNAALDH1A1KMT2AHDAC1
SCHEMBL6308808 0.76 MAPT (0.49) MAPTTDP1SLC2A1TSHRLMNA
SCHEMBL16995677 0.73 HDAC3 (0.49) MAPTP2RX7EIF2AK1HDAC1HDAC6
SCHEMBL16995674 0.73 SMN1; SMN2 (0.58) MAPTNPSR1LMNAHTTALDH1A1
SCHEMBL18353625 0.73 STAT3 (0.54) MAPTNPSR1LMNAALDH1A1
SCHEMBL26662268 0.73 SMN1; SMN2 (0.57) MAPTTDP1ALDH1A1KMT2A
SCHEMBL16995662 0.72 FNTA (0.65) MAPTTDP1NPSR1LMNAHTT
SCHEMBL11403876 0.72 IDO1 (0.44) HPGDHTTMAPK1KMT2AIDO1

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 3 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
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 MAPT 1630/4885TDP1 165/4885HPGD 1872/4885

“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.