SCHEMBL7534709

SCHEMBL7534709

N=C(NCCc1ccccn1)c1ccc(C2=NOC(CN3CCN(CC(=O)O)CC3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.47
ITGA2B P08514 10/20 0.47
ITGB2 P05107 2/20 0.42
ITGAM P11215 2/20 0.42
NPC1 O15118 2/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX5AP P20292 1/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL7533130 0.89 ITGB3 (0.48) ITGB3ITGA2BITGB2ITGAMALDH1A1
SCHEMBL7527805 0.87 ITGB3 (0.47) ITGB3ITGA2BITGB2ITGAMALDH1A1
SCHEMBL7528225 0.83 ITGB3 (0.46) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7534717 0.82 ITGB3 (0.39) ITGB3ITGA2BNPC1KMT2ARAB9A
SCHEMBL7532566 0.81 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAMF10
SCHEMBL7528706 0.80 ITGB3 (0.44) ITGB3ITGA2BITGB2ITGAMNPC1
SCHEMBL7526458 0.79 ITGB3 (0.44) ITGB3ITGA2BITGB2ITGAMALDH1A1
SCHEMBL7531756 0.79 ITGB3 (0.44) ITGB3ITGA2BITGB2ITGAMKMT2A
SCHEMBL7524935 0.78 ITGB3 (0.47) ITGB3ITGA2BITGB2ITGAMKMT2A
SCHEMBL7671083 0.78 ITGB3 (0.48) ITGB3ITGA2BITGB2ITGAMF10

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
US-6476226-B2 PLATELET GLYCOPROTEIN IIB/IIIA FIBRINOGEN; ANTICOAGULANTS; THROMBOLYTIC AGENTS; THROMBOEMBOLIC DISORDERS; ANTIINFLAMMATORY AGENTS; BONE DISORDERS; ANTITUMOR, -METASTASIS, -ARTHRITIC AGENTS; ASTHMA; PSORIASIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-05 US disclosed
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-18 US disclosed
US-6303609-B1 USED FOR THE INHIBITION OF PLATELET AGGREGATION, AS THROMBOLYTICS, AND/OR FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-10-16 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-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists F13B, F11, FGB ITGB3 74/4885ITGA2B 41/4885ITGB2 93/4885

“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.