SCHEMBL4958704

SCHEMBL4958704

COC(=O)c1ccc2c(C=O)nn(C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ KDM4E B2RXH2 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ GLA P06280 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ LCK P06239 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ JMJD6 Q6NYC1 1/20 0.40

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
SCHEMBL23535689 0.88 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL30159604 0.88 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL23559707 0.81 ADORA2A (0.47) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL24337979 0.80 CA12 (0.46) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL7426182 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL29950049 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL24338456 0.80 GLA (0.44) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL23559702 0.80 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL29491274 0.80 CA12 (0.46) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL730909 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10GLA

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728199-B1 PESTICIDAL COMPOUNDS BASF SE (DE) 2025-05-14 — — EP disclosed
CN-115427035-B ENL/AF9 YEATS inhibitors 洛克菲勒大学 2025-04-22 — — CN disclosed
CN-115515956-B Benzimidazole derivative, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-06-25 — — CN disclosed
CN-111491925-B Pesticidal compounds 巴斯夫欧洲公司 2023-12-29 — — CN disclosed
US-20230027198-A1 INHIBITORS OF ENL/AF9 YEATS THE ROCKEFELLER UNIVERSITY 2023-01-26 — — US disclosed
US-20230027198-A1 INHIBITORS OF ENL/AF9 YEATS THE ROCKEFELLER UNIVERSITY 2023-01-26 — — US disclosed
CN-115515956-A Benzimidazole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-12-23 — — CN disclosed
CN-115427035-A ENL/AF9YEATS inhibitors 洛克菲勒大学 2022-12-02 — — CN disclosed
US-11512054-B2 Pesticidal compounds BASF SE (DE) 2022-11-29 — — US disclosed
EP-4076440-A1 INHIBITORS OF ENL/AF9 YEATS The Rockefeller University (US) 2022-10-26 — — EP disclosed
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 — — US disclosed
EP-1140203-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-05-23 — — EP disclosed
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-07-14 — — US disclosed
US-6838074-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-04 — — US disclosed
US-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT LANTHEUS MEDICAL IMAGING, INC. 2004-10-21 — — US disclosed
US-6794518-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-21 — — US disclosed
EP-1296678-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY Bristol-Myers Squibb Pharma Company (US) 2003-04-02 — — EP disclosed
WO-2001098294-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 — — WO disclosed
EP-1140203-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 — — EP disclosed
WO-2000035488-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 — — WO 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 (4 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-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT TNNI3, ASGR1, TNNT2 ALDH1A1 4053/4885KDM4E 4872/4885HPGD 3033/4885
US-20230027198-A1 INHIBITORS OF ENL/AF9 YEATS MLLT3, YEATS2, MLLT1 ALDH1A1 2425/4885KDM4E 84/4885HPGD 3998/4885
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 ALDH1A1 3303/4885KDM4E 4782/4885HPGD 2094/4885
US-11512054-B2 Pesticidal compounds CAT, NIT2, PNMT ALDH1A1 1368/4885KDM4E 3608/4885HPGD 877/4885

“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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