SCHEMBL7528978

SCHEMBL7528978

N=C(c1ccc(C2=NOC(CN3CCN(CC(=O)O)CC3)C2)cc1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.42
ENPP2 Q13822 1/20 0.41
ITGB3 P05106 7/20 0.40
ITGA2B P08514 7/20 0.40
MIF P14174 2/20 0.40
ITGB2 P05107 1/20 0.40
ITGAM P11215 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
F10 P00742 2/20 0.40
POLB P06746 1/20 0.39
SLC6A7 Q99884 1/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7532685 0.90 AR (0.41) MAPTITGB3ITGA2BMIFITGB2
SCHEMBL7522105 0.90 ALDH1A1 (0.42) MAPTALDH1A1ITGB3ITGA2BMIF
SCHEMBL7527828 0.89 ITGB3 (0.42) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7525025 0.89 MAPT (0.46) MAPTALDH1A1ITGB3ITGA2BMIF
SCHEMBL7661403 0.89 MAPT (0.46) MAPTENPP2ITGB3ITGA2BMIF
SCHEMBL7534732 0.86 ITGB3 (0.43) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7530409 0.83 ITGB3 (0.43) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7659973 0.82 ITGB3 (0.40) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7536611 0.81 ITGB3 (0.58) ITGB3ITGA2BITGB2ITGAMF10
SCHEMBL7528999 0.80 RAB9A (0.48) MAPTENPP2MIFKMT2APOLB

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 MAPT 4789/4885ALDH1A1 702/4885ENPP2 214/4885

“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.