Sugi Predict

Sugi Predict / Compounds / SCHEMBL7525399

SCHEMBL7525399

SCHEMBL7525399

CN(/N=C/c1ccc(C2=NOC(CN3CCN(CC(=O)O)CC3)C2)cc1)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 12/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ BLM P54132 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7534073 0.84 MIF (0.41) MIFHDAC6LMNABLMTDP1
SCHEMBL7532424 0.83 MIF (0.41) MIFHDAC6NPC1RAB9A
SCHEMBL7526593 0.82 LMNA (0.41) MIFLMNABLMTDP1NPC1
SCHEMBL7525527 0.81 MIF (0.37) MIFLMNABLMTDP1NPC1
SCHEMBL7525415 0.80 POLB (0.41) MIFCA12CA9ITGB3ITGA2B
SCHEMBL7666056 0.80 PTGIR (0.40) MIFHDAC6LMNABLMTDP1
SCHEMBL7536624 0.80 MIF (0.45) MIFHDAC6CA12CA9NPC1
SCHEMBL7527012 0.77 MIF (0.39) MIFHDAC6
SCHEMBL7529302 0.77 MIF (0.42) MIFHDAC6CA12CA9NPC1
SCHEMBL7522898 0.77 SMN1; SMN2 (0.45) MIFHDAC6LMNANPC1ALDH1A1

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-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-18 — — US claimed
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 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 MIF 1918/4885HDAC6 2310/4885CA12 3511/4885

“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.