SCHEMBL3144772

SCHEMBL3144772

CSc1ccc([N+](=O)[O-])c(Oc2ccccc2C(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
PIN1 Q13526 7/20 0.40
MAPT P10636 1/20 0.39
MERTK Q12866 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 3/20 0.36
HPGD P15428 2/20 0.34
P2RY1 P47900 1/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL24654127 0.86 ALDH1A1 (0.46) ALDH1A1PIN1MAPTMERTKTDP1
SCHEMBL1308013 0.82 ALDH1A1 (0.45) ALDH1A1PIN1MAPTMERTKTDP1
SCHEMBL1309593 0.82 MERTK (0.56) ALDH1A1PIN1MAPTMERTKTDP1
SCHEMBL1307723 0.81 S1PR4 (0.47) ALDH1A1PIN1MAPTMERTKTDP1
SCHEMBL1309701 0.80 ALDH1A1 (0.43) ALDH1A1PIN1MAPTMERTKTDP1
SCHEMBL3154162 0.78 P2RY1 (0.35) MAPTTDP1NPSR1HTTP2RY1
SCHEMBL1135643 0.76 ALDH1A1 (0.74) ALDH1A1MAPTL3MBTL1HTTP2RY1
SCHEMBL30042504 0.76 ALDH1A1 (0.74) ALDH1A1MAPTL3MBTL1HTTP2RY1
SCHEMBL1135850 0.75 L3MBTL1 (0.63) ALDH1A1MAPTTDP1L3MBTL1NPSR1
SCHEMBL15507909 0.75 MERTK (0.46) ALDH1A1PIN1MAPTMERTKTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
EP-1751113-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Pharma Company (US) 2007-02-14 EP disclosed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US disclosed
WO-2005113511-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 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 (2 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 ALDH1A1 1978/4885PIN1 4431/4885MAPT 3475/4885
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 ALDH1A1 1978/4885PIN1 4431/4885MAPT 3475/4885

“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.