SCHEMBL13245154

SCHEMBL13245154

O=C(O)CCc1ccccc1-n1cnnn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
NPSR1 Q6W5P4 1/20 0.49
F2 P00734 3/20 0.45
KMT2A Q03164 2/20 0.45
NOTUM Q6P988 1/20 0.45
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
HMOX1 P09601 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6926213 0.85 ALDH1A1 (0.51) ALDH1A1NPSR1F2KMT2ANOTUM
SCHEMBL7473649 0.81 ALDH1A1 (0.54) ALDH1A1NPSR1F2KMT2ANOTUM
SCHEMBL1197361 0.81 KMT2A (0.50) ALDH1A1NPSR1F2KMT2AKDM4E
SCHEMBL615685 0.81 F11 (0.53) F2
SCHEMBL16144650 0.79 ALDH1A1 (0.54) ALDH1A1NPSR1F2KMT2ANOTUM
SCHEMBL19695637 0.78 ALDH1A1 (0.50) ALDH1A1NPSR1F2KMT2ANOTUM
SCHEMBL8102172 0.78 ALDH1A1 (0.50) ALDH1A1NPSR1F2KMT2ANOTUM
SCHEMBL7479093 0.78 F2 (0.52) ALDH1A1NPSR1F2KMT2ANPC1
SCHEMBL16867049 0.78 ALDH1A1 (0.57) ALDH1A1NPSR1F2KMT2ANOTUM
SCHEMBL4927896 0.74 ALDH1A1 (0.53) ALDH1A1NPSR1F2KMT2ANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 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-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 ALDH1A1 4454/4885NPSR1 1815/4885F2 4/4885

“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.