SCHEMBL7668331

SCHEMBL7668331

CCCCNC(=N)c1ccc(C2=NOC(C(=O)N3CCC(CC(=O)O)CC3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
CASP1 P29466 1/20 0.43
MAPT P10636 1/20 0.42
ITGB3 P05106 7/20 0.41
ITGA2B P08514 7/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
ITGB2 P05107 1/20 0.40
ITGAM P11215 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 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
SCHEMBL7380400 0.88 RAB9A (0.48) RAB9ANPC1SMN1; SMN2CASP1MAPT
SCHEMBL7670357 0.87 RAB9A (0.46) RAB9ANPC1SMN1; SMN2CASP1MAPT
SCHEMBL7528476 0.87 MAPT (0.44) RAB9ANPC1SMN1; SMN2CASP1MAPT
SCHEMBL7666223 0.84 ITGB3 (0.46) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7379113 0.82 RAB9A (0.49) RAB9ANPC1SMN1; SMN2CASP1MAPT
SCHEMBL7667816 0.82 RAB9A (0.47) RAB9ANPC1SMN1; SMN2CASP1MAPT
SCHEMBL7668343 0.81 RAB9A (0.46) RAB9ANPC1SMN1; SMN2CASP1MAPT
SCHEMBL8407625 0.80 ITGB3 (0.48) SMN1; SMN2ITGB3ITGA2BLMNA
SCHEMBL7672190 0.79 ITGB3 (0.47) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7373145 0.79 RAB9A (0.51) RAB9ANPC1SMN1; SMN2CASP1MAPT

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-6455560-B1 SUBSTITUTED (1-((3-ISOXAZOLIN-5-YL)CARBONYL/METHYL) -4-PIPERIDINYL) ACETIC ACID FOR USE IN INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND FOR INHIBITING THE AGGREGATION OF BLOOD PLATELETS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 US disclosed
US-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 US disclosed
US-6319937-B1 INHIBITION OF PLATELET AGGREGATION, AS THROMBOLYTICS, AND/OR TREATMENT OF THROMBOEMBOLIC DISORDERS. DUPONT PHARMACEUTICALS COMPANY 2001-11-20 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-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists FGB, F2, F13B RAB9A 4095/4885NPC1 3895/4885SMN1; SMN2 4699/4885

“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.