SCHEMBL9725995

SCHEMBL9725995

[N-]=[N+]=CC(=O)COc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALOX15 P16050 1/20 0.55
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
FFAR1 O14842 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL31172364 0.77 ALOX15 (0.63) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL11367180 0.76 ALOX15 (0.61) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL11008229 0.76 ALOX15 (0.61) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL19783265 0.76 ALOX15 (0.61) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL5497407 0.76 ALOX15 (0.61) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL81292 0.73 NPSR1 (0.48) CYP1A2CYP2C9CYP2C19ALOX15KMT2A
SCHEMBL10656399 0.73 ALOX15 (0.57) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL8127 0.72 ALOX15 (1.00) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL1318870 0.72 ALOX15 (1.00) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL3898377 0.72 ALOX15 (0.74) ALOX15KMT2AMEN1ALPLALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
US-5098707-A Thioimidazolium salts as anticoagulants for platelet aggregation inhibitors MERCK & CO., INC. (US) 1992-03-24 US disclosed
US-5030644-A Thrombolytic, fibrinolytic therapy MERCK & CO., INC. (US) 1991-07-09 US disclosed
EP-0411705-A1 Imidazole compounds and their use as transglutaminase inhibitors MERCK & CO. INC. (US) 1991-02-06 EP 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 (3 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 CYP1A2 176/4885CYP2C9 54/4885CYP2C19 61/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 CYP1A2 200/4885CYP2C9 52/4885CYP2C19 64/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 CYP1A2 176/4885CYP2C9 54/4885CYP2C19 61/4885

“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.