SCHEMBL7528476

SCHEMBL7528476

CCCCNC(=N)c1ccc(C2=NOC(C(=O)N3CCN(CC(=O)O)CC3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CASP1 P29466 1/20 0.44
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 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
SCHEMBL7668331 0.87 RAB9A (0.48) MAPTRAB9ANPC1SMN1; SMN2CASP1
SCHEMBL7528225 0.86 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7380400 0.85 RAB9A (0.48) MAPTRAB9ANPC1SMN1; SMN2CASP1
SCHEMBL7670357 0.85 RAB9A (0.46) MAPTRAB9ANPC1SMN1; SMN2CASP1
SCHEMBL7532810 0.82 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7526279 0.82 ITGB3 (0.38) RAB9ANPC1SMN1; SMN2HTTLMNA
SCHEMBL7528486 0.81 MAPT (0.43) MAPTRAB9ANPC1SMN1; SMN2CASP1
SCHEMBL7534866 0.81 MAPT (0.44) MAPTRAB9ANPC1SMN1; SMN2CASP1
SCHEMBL7530644 0.80 MITF (0.45) ITGB3ITGA2B
SCHEMBL7379113 0.80 RAB9A (0.49) MAPTRAB9ANPC1SMN1; SMN2CASP1

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 4789/4885RAB9A 3224/4885NPC1 3438/4885

“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.