SCHEMBL7525511

SCHEMBL7525511

CN(CCc1ccccc1)C(=N)c1ccc(C2=NOC(CN3CCN(CC(=O)O)CC3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.41
ITGA2B P08514 12/20 0.41
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGB2 P05107 1/20 0.38
ITGAM P11215 1/20 0.38

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
SCHEMBL7526583 0.91 LMNA (0.46) ITGB3ITGA2BLMNASMN1; SMN2ITGB2
SCHEMBL7534058 0.87 ITGB3 (0.43) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7528845 0.83 ITGB3 (0.43) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7532410 0.83 ITGB3 (0.42) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7533130 0.82 ITGB3 (0.48) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7529746 0.82 ITGB3 (0.38) ITGB3ITGA2BLMNASMN1; SMN2ITGB2
SCHEMBL7531075 0.81 BLM (0.39) ITGB3ITGA2BLMNASMN1; SMN2ITGB2
SCHEMBL7525527 0.81 MIF (0.37) LMNASMN1; SMN2
SCHEMBL7529236 0.81 ITGB3 (0.40) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7527805 0.80 ITGB3 (0.47) ITGB3ITGA2BITGB2ITGAM

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 41/4885PPARG 1627/4885

“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.