SCHEMBL211487

SCHEMBL211487

O=C(C(=O)c1ccccn1)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 1.00
CES1 P23141 1/20 1.00
L3MBTL1 Q9Y468 3/20 0.70
LMNA P02545 3/20 0.70
NAPRT Q6XQN6 1/20 0.70
P4HTM Q9NXG6 1/20 0.70
ALDH1A1 P00352 2/20 0.67
KMT2A Q03164 3/20 0.61
GSK3B P49841 1/20 0.59
KDM4E B2RXH2 5/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50

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
SCHEMBL29466797 1.00 CES2 (1.00) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL29466796 1.00 CES2 (1.00) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL29976899 0.90 CES2 (0.82) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL30161092 0.89 CES1 (0.79) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL5012058 0.89 CES1 (0.79) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL15180861 0.88 CES2 (0.78) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL15180866 0.88 CES2 (0.78) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL15180869 0.88 CES2 (0.78) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL15180873 0.88 CES2 (0.78) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL15180867 0.88 CES2 (0.78) CES2CES1L3MBTL1LMNANAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162877-B2 Human dihydroorotate dehydrogenase (hDHODH) inhibitors and their use in targeting oncological diseases sensitive to pyrimidine starvation DRUG DISCOVERY AND CLINIC S.R.L. (IT) 2024-12-10 US claimed
EP-3820929-B1 COORDINATION POLYMER OF A PRECURSOR CONTAINING CU(I) IONS CENTRE NAT RECH SCIENT (FR) 2024-12-04 EP claimed
US-20240308996-A1 PYRIDOPYRIDINES AND DERIVATIVES THEREOF AS SELECTIVE KINASE INHIBITORS UNIVERSITY OF SHARJAH (AE) 2024-09-19 US claimed
EP-4013756-B1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2024-05-08 EP claimed
EP-2025697-B1 Process to obtain dimers, trimers and up to polymers from pyridinemethanol derivatives compounds BENEMERITA UNIVERSIDAD AUTONOMA DE PUEBLA (MX) 2013-12-18 EP claimed
US-7989583-B2 Process to obtain dimers, trimers and up to polymers from pyridinmethanol derivatives compounds BENEMERITA UNIVERSIDAD AUTONOMA DE PUEBLA (MX) 2011-08-02 US claimed
US-7973034-B2 Ameliorating toxic effects of such as cancer therapy drugs or addictive drug overdose ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2011-07-05 US claimed
EP-2025697-A1 Process to obtain dimers, trimers and up to polymers from pyridinemethanol derivatives compounds Benemerita Universidad Autonoma de Puebla (MX) 2009-02-18 EP claimed
US-20090043063-A1 Process to obtain dimers, trimers and up to polymers from pyridinmethanol derivatives compounds PERCINO ZACARIAS, Maria Judith (MX) 2009-02-12 US claimed
US-20070191368-A1 Inhibition of tissue damage to skin from radiation treatment therapy BISSETT DONALD L 2007-08-16 US claimed
WO-2003002119-A1 TREATMENT AND PREVENTION OF LIPODERMATOSCLEROSIS JOHNSON & JOHNSON MEDICAL LIMITED (GB) 2003-01-09 WO claimed
US-5780459-A SALICYLIC ACID WITH ADDITIONAL ACTIVE MATERIALS THE PROCTER & GAMBLE COMPANY (US) 1998-07-14 US claimed
US-5487884-A CYTOPROTECTIVE AGENTS BY RADIATION RESISTANCE TO PREVENT SKIN CANCER AND PREMATURE AGING THE PROCTER & GAMBLE COMPANY (US) 1996-01-30 US claimed
EP-0313305-A2 Photoprotection compositions comprising chelating agents THE PROCTER & GAMBLE COMPANY (US) 1989-04-26 EP claimed
EP-0090443-B1 A PROCESS FOR CARBONYLATING METHANOL TO ACETIC ACID AND/OR METHYL ACETATE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-06-22 EP claimed
EP-0090443-A2 A process for carbonylating methanol to acetic acid and/or methyl acetate SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-10-05 EP claimed
US-4001131-A BLEACHING THE PROCTER & GAMBLE COMPANY (US) 1977-01-04 US claimed
US-12629359-B2 Structural analogues of methylphenidate as Parkinson's disease-modifying agents UNIVERSITA' DEGLI STUDI DI BRESCIA (IT) 2026-05-19 US disclosed
EP-0086281-A1 Preparation of carbamates using a palladium-containing catalyst SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-08-24 EP disclosed
US-4001131-A BLEACHING THE PROCTER & GAMBLE COMPANY (US) 1977-01-04 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 (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-12162877-B2 Human dihydroorotate dehydrogenase (hDHODH) inhibitors and their use in targeting oncological diseases sensitive to pyrimidine starvation DHODH, DLD, DPYD CES2 4307/4885CES1 2635/4885L3MBTL1 1927/4885
US-12629359-B2 Structural analogues of methylphenidate as Parkinson's disease-modifying agents SNCA, SYNJ1, PARK7 CES2 3441/4885CES1 3375/4885L3MBTL1 3411/4885
US-20240308996-A1 PYRIDOPYRIDINES AND DERIVATIVES THEREOF AS SELECTIVE KINASE INHIBITORS MAP4K2, MAP4K1, MAP3K1 CES2 3560/4885CES1 2656/4885L3MBTL1 3723/4885
US-20090043063-A1 Process to obtain dimers, trimers and up to polymers from pyridinmethanol derivatives compounds PNPO, ADH1A, CYP2E1 CES2 685/4885CES1 790/4885L3MBTL1 4610/4885

“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.