SCHEMBL8109481

SCHEMBL8109481

O=Cc1ccccc1-n1cnnn1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KCNJ1 P48048 7/20 0.51
NOTUM Q6P988 1/20 0.48
NPC1 O15118 1/20 0.43
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8327061 0.85 ALDH1A1 (0.49) ALDH1A1NPSR1KCNJ1NOTUMNPC1
SCHEMBL18367780 0.83 ALDH1A1 (0.47) ALDH1A1NPSR1KCNJ1NOTUMNPC1
SCHEMBL12615992 0.80 ALDH1A1 (0.68) ALDH1A1NPSR1KCNJ1NOTUMNPC1
SCHEMBL478641 0.77 NOTUM (0.49) KCNJ1NOTUMTDP1
SCHEMBL29927629 0.77 NOTUM (0.49) KCNJ1NOTUMTDP1
SCHEMBL2854803 0.75 NOTUM (0.42) ALDH1A1NOTUMKMT2AMEN1LMNA
SCHEMBL14232836 0.75 ALDH1A1 (0.49) ALDH1A1NPSR1KCNJ1NOTUMNPC1
SCHEMBL29935825 0.73 LMNA (0.48) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL16144650 0.73 ALDH1A1 (0.54) ALDH1A1NPSR1NOTUMNPC1KMT2A
SCHEMBL8109135 0.72 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMNPC1KMT2A

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 4 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
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 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-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 ALDH1A1 4454/4885NPSR1 1815/4885KCNJ1 3864/4885

“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.