SCHEMBL7522105

SCHEMBL7522105

N=C(c1ccc(C2=NOC(CN3CCN(CC(=O)O)CC3)C2)cc1)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
NSD2 O96028 1/20 0.41
ALPL P05186 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALOX15 P16050 1/20 0.41
MIF P14174 1/20 0.40
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 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
SCHEMBL7532685 0.91 AR (0.41) MAPTLMNAMIFITGB3ITGA2B
SCHEMBL7528978 0.90 MAPT (0.48) ALDH1A1MAPTLMNAALOX15MIF
SCHEMBL7527828 0.84 ITGB3 (0.42) MIFITGB3ITGA2BRAB9A
SCHEMBL7522127 0.82 LMNA (0.40) ALDH1A1NSD2ALPLGAAMAPT
SCHEMBL7534732 0.81 ITGB3 (0.43) MIFITGB3ITGA2BRAB9A
SCHEMBL7530409 0.80 ITGB3 (0.43) MIFITGB3ITGA2B
SCHEMBL7659973 0.79 ITGB3 (0.40) MIFITGB3ITGA2B
SCHEMBL7536611 0.79 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7525025 0.79 MAPT (0.46) ALDH1A1MAPTLMNAALOX15MIF
SCHEMBL7661403 0.79 MAPT (0.46) MAPTMIFITGB3ITGA2B

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 ALDH1A1 702/4885NSD2 4694/4885ALPL 1931/4885

“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.