SCHEMBL394511

SCHEMBL394511

Cc1ccccc1C(=O)NC(C)C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
THRB P10828 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
TYK2 P29597 1/20 0.50
LMNA P02545 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49

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
SCHEMBL4168620 0.86 HPGD (0.55) HPGDCYP1A2CYP2D6CYP2C19NPC1
SCHEMBL25607328 0.85 NPC1 (0.51) CYP1A2CYP2D6CYP2C19NPC1RAB9A
SCHEMBL24571390 0.85 HPGD (0.53) HPGDCYP1A2CYP2D6CYP2C19NPC1
SCHEMBL4159724 0.85 HPGD (0.53) HPGDCYP1A2CYP2D6CYP2C19NPC1
SCHEMBL24567577 0.85 HPGD (0.53) HPGDCYP1A2CYP2D6CYP2C19NPC1
SCHEMBL15271735 0.85 GLA (0.55) HPGDCYP1A2CYP2D6CYP2C19NPC1
SCHEMBL4181155 0.84 HPGD (0.52) HPGDCYP1A2CYP2D6CYP2C19NPC1
SCHEMBL24093941 0.83 HPGD (0.51) HPGDCYP1A2CYP2D6CYP2C19NPC1
SCHEMBL12126797 0.83 HPGD (0.51) HPGDCYP1A2CYP2D6CYP2C19NPC1
SCHEMBL23689650 0.82 MEN1 (0.73) HPGDCYP1A2CYP2D6CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113227089-B Substituted 6-azabenzimidazole compounds as HPK1 inhibitors 吉利德科学公司 2024-07-05 CN disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors Nanjing Immunophage Biotech Co., Ltd. (CN) 2023-02-09 US disclosed
US-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION NYSNOBIO IRELAND DAC (IE) 2021-08-12 US disclosed
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-07-12 US disclosed
EP-3169662-B1 SUBSTITUTED VINYL- AND ALKINYL-CYANOCYCLOALKANOLS AND VINYL- AND ALKINYL-CYANOHETEROCYCLOALKANOLS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
US-9884867-B2 Bicyclic alkyne derivatives and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-06 US disclosed
US-9884867-B2 Bicyclic alkyne derivatives and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-06 US disclosed
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-04-28 US disclosed
US-7893074-B2 inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide NOVARTIS AG (CH) 2011-02-22 US disclosed
US-7893074-B2 inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide NOVARTIS AG (CH) 2011-02-22 US disclosed
EP-2275413-A1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders. Novartis AG (CH) 2011-01-19 EP disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 US disclosed
US-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2008-05-22 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 (9 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-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 HPGD 2003/4885CYP1A2 2414/4885CYP2D6 2186/4885
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD HPGD 140/4885CYP1A2 313/4885CYP2D6 325/4885
US-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 HPGD 2348/4885CYP1A2 1001/4885CYP2D6 2612/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT HPGD 283/4885CYP1A2 1682/4885CYP2D6 2336/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 HPGD 3128/4885CYP1A2 3148/4885CYP2D6 4501/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD HPGD 139/4885CYP1A2 324/4885CYP2D6 311/4885
US-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION TP53, RB1, CDK1 HPGD 2202/4885CYP1A2 4530/4885CYP2D6 4314/4885
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors CCR8, CCR1, CCR3 HPGD 2003/4885CYP1A2 2414/4885CYP2D6 2186/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 HPGD 1224/4885CYP1A2 3729/4885CYP2D6 4646/4885

“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.