SCHEMBL1756750

SCHEMBL1756750

NC(=O)C1CNc2ccccc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
NISCH Q9Y2I1 2/20 0.44
SIRT1 Q96EB6 10/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SIRT2 Q8IXJ6 7/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL924190 0.86 HPGD (0.59) HPGDNISCHCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL29617683 0.85 HPGD (0.58) HPGDNISCHCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL18641917 0.85 HPGD (0.58) HPGDNISCHCYP1A2CYP3A4CYP2C9
SCHEMBL1756748 0.85 HPGD (0.58) HPGDNISCHCYP1A2CYP3A4CYP2C9
SCHEMBL15373676 0.85 HPGD (0.62) HPGDNISCHCYP1A2CYP3A4CYP2C9
Lithium Ion SCHEMBL4836215 0.83 HPGD (0.57) HPGDNISCHSIRT1CYP1A2CYP3A4
SCHEMBL24378114 0.81 HPGD (0.58) HPGDNISCHCYP1A2CYP3A4CYP2C9
SCHEMBL8567992 0.81 HPGD (0.69) HPGDNISCHCYP1A2CYP3A4CYP2C9
SCHEMBL8562494 0.81 HPGD (0.61) HPGDNISCHCYP1A2CYP3A4CYP2C9
SCHEMBL1689603 0.81 HPGD (0.61) HPGDNISCHCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275440-B1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME NAT CT GERIATRICS & GERONTOLOGY (JP) 2022-05-04 EP claimed
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
EP-4232161-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER Dana-Farber Cancer Institute, Inc. (US) 2023-08-30 EP disclosed
CN-116323571-A Covalent inhibitors of Creatine Kinase (CK) and their use for the treatment and prevention of cancer 丹娜法伯癌症研究院 2023-06-23 CN disclosed
CN-114685516-A Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer 洛克索肿瘤学股份有限公司 2022-07-01 CN disclosed
CN-108431007-B Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer 洛克索肿瘤学股份有限公司 2022-06-07 CN disclosed
EP-3275440-B1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME NAT CT GERIATRICS & GERONTOLOGY (JP) 2022-05-04 EP disclosed
WO-2022087433-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-28 WO disclosed
WO-2022087433-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-28 WO disclosed
EP-1740584-B9 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2010-06-09 EP disclosed
US-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 US disclosed
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2009-10-29 US disclosed
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 US disclosed
US-7592453-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-22 US disclosed
EP-2080760-A1 Fused quinoline derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-07-22 EP disclosed
EP-1740584-B1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2008-12-03 EP disclosed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US disclosed
CN-1976932-A Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL (JP) 2007-06-06 CN disclosed
CN-1169986-A 2.9-diamino-and 2-amino-8-carbamoyl-4-hydroxy-aldanoic acid amide derivatives CIBA GEIGY AG (CH) 1998-01-14 CN 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 (5 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-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 HPGD 1635/4885NISCH 419/4885SIRT1 1704/4885
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 HPGD 1635/4885NISCH 419/4885SIRT1 1704/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 HPGD 1619/4885NISCH 386/4885SIRT1 1655/4885
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 HPGD 1708/4885NISCH 408/4885SIRT1 1671/4885
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER CKMT1A; CKMT1B, PHKG1, PCK1 HPGD 962/4885NISCH 4592/4885SIRT1 935/4885

“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.