SCHEMBL3851901

SCHEMBL3851901

CCc1cc(Br)c(F)c(C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
PRKDC P78527 1/20 0.35
ALDH1A3 P47895 1/20 0.34
ERN1 O75460 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2668172 0.86 LMNA (0.38) LMNAPRKDCALDH1A3ERN1ALDH1A1
SCHEMBL30634089 0.78 LMNA (0.40) LMNAPRKDCALDH1A3ERN1ALDH1A1
SCHEMBL21047975 0.78 LMNA (0.40) LMNAPRKDCALDH1A3ERN1ALDH1A1
SCHEMBL5883309 0.78 ERN1 (0.58) LMNAPRKDCERN1MAPT
SCHEMBL2919357 0.75 PTGS2 (0.48) LMNAPRKDCERN1ALDH1A1MAPT
SCHEMBL12135681 0.75 ERN1 (0.48) LMNAPRKDCERN1ALDH1A1MAPT
SCHEMBL332788 0.74 ERN1 (0.47) LMNAPRKDCERN1ALDH1A1
SCHEMBL29945684 0.74 ERN1 (0.47) LMNAPRKDCERN1ALDH1A1
SCHEMBL1592418 0.74 ERN1 (0.57) LMNAPRKDCERN1ALDH1A1MAPT
SCHEMBL31353147 0.74 LMNA (0.41) LMNAPRKDCALDH1A3ERN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 WO disclosed
US-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 US disclosed
EP-1828152-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
EP-1828152-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA Bristol-Myers Squibb Company (US) 2007-09-05 EP disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
WO-2006062972-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-15 WO 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-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 LMNA 729/4885PRKDC 1129/4885ALDH1A3 4408/4885

“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.