SCHEMBL1786865

SCHEMBL1786865

COc1ccc(NC(=O)Cc2ccc3c(c2)CCN(C2=CC=C2)CC3)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 6/20 0.52
NPC1 O15118 1/20 0.52
PKM P14618 1/20 0.52
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 5/20 0.44
CSF1R P07333 1/20 0.44
HPGD P15428 2/20 0.41
USP2 O75604 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PABPC1 P11940 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 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
SCHEMBL1787830 0.85 PRMT5 (0.37) SMN1; SMN2KDM4E
SCHEMBL1786862 0.81 HRH3 (0.61) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL1790059 0.81 ALDH1A1 (0.47) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL1789593 0.78 ALDH1A1 (0.43) SMN1; SMN2MEN1KMT2ALMNAHTT
SCHEMBL1787925 0.78 PRMT5 (0.41) MAPTALDH1A1CSF1RCYP2D6
SCHEMBL1789361 0.75 ALDH1A1 (0.40) SMN1; SMN2MEN1KMT2ALMNAHTT
SCHEMBL3089527 0.74 HRH3 (0.54)
SCHEMBL1786585 0.73 HPGD (0.46) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL1788306 0.72 LMNA (0.43) LMNAMAPT
Potassium Ion SCHEMBL1787642 0.72 ALDH1A1 (0.34) SMN1; SMN2MEN1KMT2ALMNAMAPT

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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 SMN1; SMN2 4393/4885MEN1 2515/4885KMT2A 731/4885

“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.