SCHEMBL7674385

SCHEMBL7674385

N=C(NCCc1ccccc1)c1ccc(C2=NOC(C(=O)N3CCC(OCC(=O)O)CC3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 4/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 2/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HPGD P15428 1/20 0.39
USP2 O75604 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
SCHEMBL7667816 0.89 RAB9A (0.47) MAPTNPC1RAB9AALDH1A1CASP1
SCHEMBL7670357 0.88 RAB9A (0.46) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL7670632 0.88 RAB9A (0.48) MAPTNPC1RAB9AALDH1A1CASP1
SCHEMBL7378820 0.86 MAPT (0.45) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL7668562 0.85 ITGB3 (0.45) LMNASMN1; SMN2MEN1KMT2AITGB3
SCHEMBL7692448 0.83 ITGB3 (0.48) MAPTNPC1RAB9AALDH1A1CASP1
SCHEMBL7665977 0.83 ITGB3 (0.52) MAPTNPC1RAB9ACASP1SMN1; SMN2
SCHEMBL7378822 0.83 MAPT (0.42) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL7381327 0.77 MAPT (0.43) MAPTNPC1RAB9ALMNACASP1
SCHEMBL7381323 0.77 LMNA (0.48) MAPTNPC1RAB9AALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 US claimed
US-6319937-B1 INHIBITION OF PLATELET AGGREGATION, AS THROMBOLYTICS, AND/OR TREATMENT OF THROMBOEMBOLIC DISORDERS. DUPONT PHARMACEUTICALS COMPANY 2001-11-20 US claimed
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 MAPT 4696/4885NPC1 3895/4885RAB9A 4095/4885

“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.