SCHEMBL7525919

SCHEMBL7525919

O=C(O)CN1CCC(CC2CC(c3ccc(C=NNCc4ccccc4)cc3)NO2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.42
▸ POLB P06746 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ HTR4 Q13639 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL7524943 0.92 ACHE (0.41) ACHEPOLBALDH1A1L3MBTL1HTT
SCHEMBL7531732 0.89 ACHE (0.39) ACHEPOLBALDH1A1L3MBTL1HTT
SCHEMBL7531066 0.87 ACHE (0.38) ACHEPOLBALDH1A1SMN1; SMN2GAA
SCHEMBL7664228 0.86 ACHE (0.38) ACHEPOLBNPC1MAPTRAB9A
SCHEMBL7532824 0.86 ACHE (0.37) ACHEPOLBALDH1A1SMN1; SMN2GAA
SCHEMBL7523234 0.82 ALDH1A1 (0.36) ACHEPOLBALDH1A1L3MBTL1HTR4
SCHEMBL7527004 0.82 POLB (0.34) ACHEPOLBALDH1A1L3MBTL1HTT
SCHEMBL7509627 0.81 SMN1; SMN2 (0.37) ACHEPOLBALDH1A1L3MBTL1HTR4
SCHEMBL7529247 0.81 THRB (0.37) ACHEPOLBALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7666063 0.81 ACHE (0.35) ACHEPOLBALDH1A1L3MBTL1NPC1

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-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 claimed
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-18 — — US claimed
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 ACHE 3785/4885POLB 3542/4885ALDH1A1 702/4885

“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.

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