SCHEMBL5512428

SCHEMBL5512428

COC(=O)c1c(C)c(Br)c(CBr)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 5/20 0.35
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 3/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
NR4A2 P43354 1/20 0.33
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
GLA P06280 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
SCHEMBL2365867 0.71 NPSR1 (0.44) LMNANPSR1USP2ALDH1A1KMT2A
SCHEMBL22923873 0.66 HTT (0.40) LMNANPSR1ALDH1A1KMT2AKDM4E
SCHEMBL6468905 0.65 NPSR1 (0.52) LMNANPSR1ALDH1A1KMT2AKDM4E
SCHEMBL26596701 0.65 ALDH1A1 (0.39) LMNANPSR1ALDH1A1KMT2AKDM4E
SCHEMBL8380519 0.64 CA1 (0.48) LMNANPSR1ALDH1A1KMT2AKDM4E
SCHEMBL29049264 0.64 CA12 (0.48) NPSR1ALDH1A1KMT2AKDM4EHPGD
SCHEMBL2624814 0.64 KDM4E (0.40) LMNANPSR1ALDH1A1KMT2AKDM4E
SCHEMBL31644167 0.64 NPSR1 (0.42) LMNANPSR1USP2ALDH1A1KMT2A
SCHEMBL31643446 0.64 CA12 (0.41) LMNANPSR1ALDH1A1KMT2AKDM4E
SCHEMBL4125691 0.64 CA12 (0.41) LMNANPSR1ALDH1A1KMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176195-B2 Fused azepine derivatives and their use as antidiuretic agents FERRING BV (NL) 2007-02-13 US disclosed
US-20040038962-A1 Fused azepine derivatives and their use as antidiuretic agents VANTIA LIMITED (GB) 2004-02-26 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-20040038962-A1 Fused azepine derivatives and their use as antidiuretic agents AVPR2, AVPR1A, AVPR1B LMNA 3914/4885NPSR1 59/4885USP2 2536/4885

“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.