SCHEMBL1791978

SCHEMBL1791978

O=C(NCc1ccc2c(c1)CCN(C1=CC=C1)CC2)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
NPC1 O15118 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39

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
SCHEMBL1789972 0.90 KMT2A (0.42) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL1791796 0.89 KMT2A (0.41) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL1790805 0.83 KMT2A (0.53) KMT2AKDM4EALDH1A1MAPTCASP1
SCHEMBL1792092 0.83 ALDH1A1 (0.43) KMT2AKDM4EALDH1A1MAPTHSD17B10
SCHEMBL1790232 0.81 KMT2A (0.40) KMT2AMEN1PRMT5WDR77NPC1
Hydrochloric Acid SCHEMBL1787284 0.81 KMT2A (0.39) KMT2AMEN1PRMT5WDR77NPC1
SCHEMBL1790034 0.80 LMNA (0.41) MAPTSMN1; SMN2LMNA
SCHEMBL1788942 0.79 ALDH1A1 (0.38) KMT2AKDM4EALDH1A1MAPTERCC1
SCHEMBL1788652 0.79 HPGD (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL1789814 0.79 ERCC1 (0.47) MAPTERCC1ERCC4LMNA

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 KMT2A 731/4885MEN1 2515/4885KDM4E 1983/4885

“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.