SCHEMBL1161996

SCHEMBL1161996

NC(=O)c1ccccc1Cc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPK8 P45983 1/20 0.48
NAPRT Q6XQN6 1/20 0.47
USP2 O75604 1/20 0.47
TBXAS1 P24557 4/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
SARM1 Q6SZW1 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
SIRT4 Q9Y6E7 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL29817984 1.00 RECQL (0.50) RECQLALDH1A1MAPK8NAPRTUSP2
Hydrochloric Acid SCHEMBL17906582 0.98 RECQL (0.49) RECQLALDH1A1MAPK8NAPRTUSP2
SCHEMBL28875207 0.87 RECQL (0.47) RECQLALDH1A1MAPK8NAPRTUSP2
SCHEMBL30839561 0.86 ALDH1A1 (0.61) RECQLALDH1A1MAPK8NAPRTUSP2
SCHEMBL5678627 0.86 ALDH1A1 (0.61) RECQLALDH1A1MAPK8NAPRTUSP2
SCHEMBL9622292 0.86 ALDH1A1 (0.50) RECQLALDH1A1NAPRTUSP2TBXAS1
SCHEMBL11875125 0.84 ALDH1A1 (0.49) ALDH1A1NAPRTUSP2TBXAS1HPGD
SCHEMBL28875206 0.84 NAPRT (0.45) RECQLALDH1A1MAPK8NAPRTUSP2
SCHEMBL27175180 0.84 TSHR (0.42) ALDH1A1HPGDTSHRKDM4EMAPT
SCHEMBL3647368 0.83 RECQL (0.51) RECQLALDH1A1MAPK8NAPRTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103649087-B Substituted imidazopyridine and intermediate thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-11-30 CN claimed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US claimed
EP-2459524-A2 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS Cadila Healthcare Limited (IN) 2012-06-06 EP claimed
WO-2011016050-A2 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS CADILA HEALTHCARE LIMITED (IN) 2011-02-10 WO claimed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US claimed
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 EP claimed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO claimed
CN-115305097-A Liquid crystal aligning agent, liquid crystal alignment film and method for producing same, liquid crystal element, liquid crystal display device, and polymer JSR株式会社 2022-11-08 CN disclosed
CN-114381281-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, method for producing liquid crystal element, and compound JSR株式会社 2022-04-22 CN disclosed
CN-114058382-A Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal element JSR株式会社 2022-02-18 CN disclosed
CN-114058381-A Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal element JSR株式会社 2022-02-18 CN disclosed
WO-2018144620-A9 ANTI-FIBROTIC COMPOUNDS CERTA THERAPEUTICS PTY LTD. (AU) 2019-01-24 WO disclosed
WO-2018144620-A1 ANTI-FIBROTIC COMPOUNDS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2018-08-09 WO disclosed
EP-2459524-A2 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS Cadila Healthcare Limited (IN) 2012-06-06 EP disclosed
WO-2012051117-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-19 WO disclosed
WO-2011061527-A1 COMBINATIONS COMPRISING A GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-05-26 WO disclosed
WO-2011016050-A2 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS CADILA HEALTHCARE LIMITED (IN) 2011-02-10 WO disclosed
EP-2234995-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009077385-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
EP-0373891-A2 Anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-20 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 (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-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators PIM1, PIM2, PIM3 RECQL 2535/4885ALDH1A1 851/4885MAPK8 1700/4885

“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.