SCHEMBL1490952

SCHEMBL1490952

O=C(NCc1ccco1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.76
ALDH1A1 P00352 3/20 0.76
LMNA P02545 1/20 0.76
TDP1 Q9NUW8 1/20 0.74
TP53 P04637 3/20 0.68
POLB P06746 2/20 0.68
TSHR P16473 2/20 0.68
MLYCD O95822 1/20 0.68
NPC1 O15118 1/20 0.68
MAPT P10636 1/20 0.68
RAB9A P51151 1/20 0.68
HSD17B10 Q99714 1/20 0.65
NPSR1 Q6W5P4 1/20 0.64
MAPK1 P28482 1/20 0.64
RECQL P46063 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.63

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
SCHEMBL1394361 0.91 HPGD (0.72) HPGDALDH1A1LMNATDP1TP53
SCHEMBL4491643 0.87 TDP1 (0.75) HPGDALDH1A1LMNATDP1TP53
SCHEMBL1901528 0.85 TDP1 (0.68) HPGDALDH1A1LMNATDP1TP53
SCHEMBL95374 0.85 TDP1 (0.73) HPGDALDH1A1LMNATDP1TP53
SCHEMBL2422719 0.85 TDP1 (0.73) HPGDALDH1A1LMNATDP1TP53
SCHEMBL13212973 0.85 TDP1 (0.73) HPGDALDH1A1LMNATDP1TP53
SCHEMBL6023593 0.85 TDP1 (1.00) HPGDALDH1A1LMNATDP1TP53
SCHEMBL18905578 0.83 RAB9A (0.64) HPGDALDH1A1LMNATDP1POLB
SCHEMBL4672305 0.83 TDP1 (0.69) HPGDALDH1A1LMNATDP1TP53
SCHEMBL8404655 0.83 TDP1 (0.74) HPGDALDH1A1LMNATDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024035194-A1 NOVEL HETEROARYL-SUBSTITUTED DERIVATIVE AND COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASE, CANCER, AND INFLAMMATORY DISEASE COMPRISING SAME 환인제약 주식회사 2024-02-15 WO claimed
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 EP claimed
US-20080064876-A1 Process for the preparation of substituted 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CELGENE CORPORATION 2008-03-13 US claimed
WO-2007136640-A2 PROCESSES FOR THE PREPARATION OF SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLE-1,3-DIONE CELGENE CORPORATION (US) 2007-11-29 WO claimed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO claimed
JP-2076841-A None JP disclosed
WO-2024035194-A1 NOVEL HETEROARYL-SUBSTITUTED DERIVATIVE AND COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASE, CANCER, AND INFLAMMATORY DISEASE COMPRISING SAME 환인제약 주식회사 2024-02-15 WO disclosed
WO-2023202583-A1 FXR REGULATOR AND USE THEREOF 北京大学 2023-10-26 WO disclosed
CN-116903559-A FXR modulators and uses thereof 北京大学 2023-10-20 CN disclosed
WO-2023034413-A2 METHODS AND AGENTS FOR MODULATING THE IMMUNE RESPONSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-09 WO disclosed
US-20230058312-A1 ARYL AND HETEROARYL COMPOUNDS, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF GALACTOCEREBROSIDASE GAIN THERAPEUTICS SA (CH) 2023-02-23 US disclosed
CN-115397806-A Aryl and heteroaryl compounds and their therapeutic use in conditions associated with altered activity of galactocerebrosidase 增益治疗股份有限公司 2022-11-25 CN disclosed
US-7897609-B2 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
CN-101848899-A N-benzyl, n' -arylcarbonylpiperazine derivatives as lxr modulators ORGANON NV 2010-09-29 CN disclosed
WO-2008039007-A1 INDOL DERIVATIVES, THE METHOD FOR PREPARING THEREOF AND COMPOSITION FOR THE PREVENTION AND TREATMENT OF METABOLIC DISORDER CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-04-03 WO disclosed
US-20080064876-A1 Process for the preparation of substituted 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CELGENE CORPORATION 2008-03-13 US disclosed
WO-2007136640-A2 PROCESSES FOR THE PREPARATION OF SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLE-1,3-DIONE CELGENE CORPORATION (US) 2007-11-29 WO disclosed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 US disclosed
US-7019002-B2 Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents PHARMACIA & UPJOHN, S.P.A. (IT) 2006-03-28 US disclosed
JP-H0276841-A PRODUCTION OF AMINOLEVULINIC ACIDS OSAKA ORGANIC CHEM IND LTD 1990-03-16 JP 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 (3 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-20230058312-A1 ARYL AND HETEROARYL COMPOUNDS, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF GALACTOCEREBROSIDASE GBA1, GALC, MAN2B1 HPGD 3402/4885ALDH1A1 386/4885LMNA 427/4885
US-20080064876-A1 Process for the preparation of substituted 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione TNF, DHPS, IDO1 HPGD 175/4885ALDH1A1 230/4885LMNA 2059/4885
US-20070219228-A1 Aryl substituted imidazonaphthyridines IL2, IRF3, EIF2AK2 HPGD 449/4885ALDH1A1 1178/4885LMNA 4535/4885

“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.