SCHEMBL20762014

SCHEMBL20762014

COc1cc(Cl)ccc1Cn1c(-c2cc(Br)ccn2)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
CTSD P07339 1/20 0.44
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CSF1R P07333 1/20 0.41
AKT1 P31749 1/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL20762480 0.86 NPSR1 (0.47) NPSR1KDM4ELMNAHTTMEN1
SCHEMBL20761833 0.85 AGTR1 (0.54) NPSR1KDM4ELMNAHTTMEN1
SCHEMBL20761851 0.84 DRD2 (0.53) NPSR1KDM4ELMNAHTTMEN1
SCHEMBL20762556 0.77 KDM4C (0.52) CTSDL3MBTL1
SCHEMBL13834603 0.76 KMT2A (0.55) NPSR1KDM4ELMNAHTTMEN1
SCHEMBL20761884 0.75 AGTR1 (0.56) NPSR1KDM4ELMNAHTTCTSD
SCHEMBL20761785 0.74 CTSD (0.50) NPSR1KDM4ELMNAHTTMEN1
SCHEMBL20761957 0.72 CTSD (0.49) NPSR1KDM4ELMNAMEN1KMT2A
SCHEMBL19278312 0.72 MAPT (0.50) NPSR1KDM4ELMNAHTTMEN1
SCHEMBL20761651 0.71 MC4R (0.45) HTTGAASMN1; SMN2

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-20190055212-A1 HISTONE DEMETHYLASE INHIBITORS GWALTNEY STEPHEN (US) 2019-02-21 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-20190055212-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM6B, KDM5B NPSR1 4426/4885KDM4E 12/4885LMNA 2608/4885

“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.