SCHEMBL1790232

SCHEMBL1790232

O=C(NCc1ccc2c(c1)CCN(C1=CC=C1)CC2)N1CCC(F)(F)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
USP19 O94966 1/20 0.34
NAMPT P43490 3/20 0.34
MAPK1 P28482 4/20 0.33
KCNA1 Q09470 1/20 0.33
KCNAB1 Q14722 1/20 0.33
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.33
SCN5A Q14524 1/20 0.33
LMNA P02545 2/20 0.32
GFER P55789 1/20 0.32
MLLT1 Q03111 1/20 0.32

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
Hydrochloric Acid SCHEMBL1787284 0.99 KMT2A (0.39) KMT2AMEN1NPC1TDP1PRMT5
SCHEMBL1789972 0.84 KMT2A (0.42) KMT2AMEN1NPC1TDP1PRMT5
SCHEMBL1791796 0.83 KMT2A (0.41) KMT2AMEN1NPC1TDP1PRMT5
SCHEMBL1791978 0.81 KMT2A (0.48) KMT2AMEN1NPC1TDP1PRMT5
SCHEMBL1788129 0.80 ERCC1 (0.39) KMT2AMEN1TDP1
SCHEMBL1790230 0.80 HRH3 (0.49) KMT2AMEN1NPC1TDP1HRH3
Hydrochloric Acid SCHEMBL1787282 0.79 HRH3 (0.48) KMT2AMEN1NPC1TDP1HRH3
SCHEMBL1789814 0.78 ERCC1 (0.47) LMNA
SCHEMBL1790034 0.76 LMNA (0.41) LMNA
SCHEMBL1788201 0.76 MEN1 (0.46) KMT2AMEN1NAMPTLMNA

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 2515/4885NPC1 1764/4885

“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.