SCHEMBL247570

SCHEMBL247570

Nc1ccc(C2CC2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
IDO1 P14902 2/20 0.45
EP300 Q09472 2/20 0.45
KAT8 Q9H7Z6 2/20 0.45
HDAC3 O15379 1/20 0.45
KAT2B Q92831 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
KEAP1 Q14145 2/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
CHEK1 O14757 1/20 0.41

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
Hydrochloric Acid SCHEMBL17063707 0.98 ALDH1A1 (0.48) ALDH1A1HPGDTDP1CYP3A4TSHR
SCHEMBL6557029 0.92 ALDH1A1 (0.46) ALDH1A1HPGDTDP1CYP3A4TSHR
SCHEMBL30881868 0.91 ALDH1A1 (0.56) ALDH1A1HPGDTDP1CYP3A4TSHR
Hydrochloric Acid SCHEMBL6554889 0.90 ALDH1A1 (0.44) ALDH1A1HPGDTDP1CYP3A4TSHR
SCHEMBL19284562 0.87 HTR6 (0.54) ALDH1A1HPGDTDP1CYP3A4TSHR
SCHEMBL30735695 0.87 HTR6 (0.54) ALDH1A1HPGDTDP1CYP3A4TSHR
Hydrochloric Acid SCHEMBL19284717 0.85 HTR2C (0.53) ALDH1A1HPGDTDP1CYP3A4TSHR
SCHEMBL8117529 0.84 DRD2 (0.47) ALDH1A1HPGDTDP1CYP3A4TSHR
SCHEMBL25821914 0.83 ALDH1A1 (0.52) ALDH1A1HPGDTDP1CYP3A4TSHR
SCHEMBL8117454 0.76 NSD2 (0.47) ALDH1A1HPGDTDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417825-B Five-membered or six-membered fused ring pyrimidine cyclopropyl naphthalene derivative and preparation method and application thereof 山东大学 2024-06-28 CN claimed
CN-115322190-B Pyridoimidazole acyl sulfonamide derivative, and preparation method and application thereof 山东大学 2023-09-22 CN claimed
WO-2023143034-A1 PYRIDOIMIDAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 山东大学 2023-08-03 WO claimed
CN-115417825-A Five-membered or six-membered fused ring pyrimidine cyclopropyl naphthalene derivative and preparation method and application thereof 山东大学 2022-12-02 CN claimed
CN-115322190-A Pyridoimidazole acylsulfonamide derivative and preparation method and application thereof 山东大学 2022-11-11 CN claimed
CN-113336769-B Thienopyrimidine ketone acyl sulfonamide derivative as well as preparation method and application thereof 山东大学 2022-06-24 CN claimed
CN-114478522-A Pyridoimidazole derivative and preparation method and application thereof 山东大学 2022-05-13 CN claimed
EP-3495362-B1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF UNIV SHANDONG (CN) 2021-10-27 EP claimed
CN-113336769-A Thienopyrimidone acylsulfonamide derivative and preparation method and application thereof 山东大学 2021-09-03 CN claimed
CN-111763218-B Thienopyrimidinone thioglycolic acid derivative and preparation method and application thereof 山东大学 2021-05-28 CN claimed
CN-111763218-A Thienopyrimidinone thioglycolic acid derivative and preparation method and application thereof 山东大学 2020-10-13 CN claimed
CN-110878045-A Compound and preparation method and application thereof 江西同和药业股份有限公司 2020-03-13 CN claimed
US-10399978-B2 Imidazopyridine thioglycolic acid derivatives as potent inhibitors of human urate transporter 1 SHANDONG UNIVERSITY (CN) 2019-09-03 US claimed
US-20190225606-A1 Novel Imidazopyridine Thioglycolic Acid Derivatives as Potent Inhibitors of Human Urate Transporter 1 SHANDONG UNIVERSITY (CN) 2019-07-25 US claimed
EP-3495362-A1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shandong University (CN) 2019-06-12 EP claimed
US-20260062412-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING MYT1 INHIBITORY ACTIVITY CHUGAI PHARMACEUTICAL CO LTD (JP) 2026-03-05 US disclosed
EP-4647424-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING MYT1 INHIBITORY ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-11-12 EP disclosed
WO-2007050087-A1 N[S(4-aryl-triazol-3-yl)α -mercaptoacetyl]-p-amino benozoic acids AS HIV REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2007-05-03 WO disclosed
US-20060270725-A1 N[S(4-aryl-triazol-3-yl)alpha-mercaptoacetyl]-p-amino benzoic acids as HIV reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. 2006-11-30 US disclosed
WO-2006026356-A2 S-TRIAZOLYL α-MERCAPTOACETANILDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. (US) 2006-03-09 WO 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-20190225606-A1 Novel Imidazopyridine Thioglycolic Acid Derivatives as Potent Inhibitors of Human Urate Transporter 1 SLC29A1, SLC28A1, SLC5A1 ALDH1A1 446/4885HPGD 1753/4885TDP1 452/4885
US-20060270725-A1 N[S(4-aryl-triazol-3-yl)alpha-mercaptoacetyl]-p-amino benzoic acids as HIV reverse transcriptase inhibitors NQO2, NAT1, QPCT ALDH1A1 903/4885HPGD 1586/4885TDP1 3283/4885
US-20260062412-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING MYT1 INHIBITORY ACTIVITY MYT1, NTMT1, MYL6 ALDH1A1 2880/4885HPGD 2650/4885TDP1 1883/4885
US-10399978-B2 Imidazopyridine thioglycolic acid derivatives as potent inhibitors of human urate transporter 1 SLC29A1, SLC28A1, SLC5A1 ALDH1A1 473/4885HPGD 1343/4885TDP1 457/4885

“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.