SCHEMBL647376

SCHEMBL647376

Nc1cc2ccccc2cc1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KEAP1 Q14145 1/20 0.39
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HBB P68871 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPRT1 P00492 1/20 0.38
APOBEC3G Q9HC16 1/20 0.37
CYP2A6 P11509 1/20 0.36
TYMS P04818 1/20 0.36
HTR2A P28223 1/20 0.35

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
SCHEMBL430273 0.83 PDE4A (0.46) ALDH1A1HSD17B10TSHRHIF1ATDP1
SCHEMBL29583446 0.83 PDE4A (0.46) ALDH1A1HSD17B10TSHRHIF1ATDP1
SCHEMBL15310451 0.83 IDO1 (0.42) IDO1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL11843814 0.79 IDO1 (0.42) IDO1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL3043085 0.78 PDE4A (0.48) ALDH1A1CYP3A4HSD17B10HPGDTSHR
SCHEMBL901034 0.78 PDE4A (0.48) ALDH1A1CYP3A4HSD17B10HPGDTSHR
SCHEMBL9778172 0.77 IDO1 (0.45) IDO1ALDH1A1CYP3A4HSD17B10HPGD
Alcohol SCHEMBL28499385 0.76 IDO1 (0.48) IDO1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL15033126 0.76 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDTSHRCASP1
SCHEMBL18421692 0.75 PTK2 (0.41) ALDH1A1HSD17B10ALOX15CASP7HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112876470-A Method for synthesizing quinazolinone compound under nonmetal catalysis without additive 中国科学院大连化学物理研究所 2021-06-01 CN claimed
CN-116375641-B C3-phenoxy substituted quinoline compound and synthetic method and application thereof 杭州师范大学 2025-01-03 CN disclosed
CN-116375641-A C3-phenoxy substituted quinoline compound and synthetic method and application thereof 杭州师范大学 2023-07-04 CN disclosed
CN-112876470-B Method for synthesizing quinazolinone compound under nonmetal catalysis without additive 中国科学院大连化学物理研究所 2022-08-30 CN disclosed
CN-112876470-A Method for synthesizing quinazolinone compound under nonmetal catalysis without additive 中国科学院大连化学物理研究所 2021-06-01 CN disclosed
US-10759769-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARMECEUTICAL INC (US) 2020-09-01 US disclosed
US-20190248754-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMECEUTICAL INC (US) 2019-08-15 US disclosed
EP-3268355-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2019-06-12 EP disclosed
US-10227312-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARMACEUTICAL INC. (US) 2019-03-12 US disclosed
US-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2018-02-15 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
US-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME LLC 2009-01-15 US disclosed
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) NOVARTIS AG (CH) 2008-11-27 US disclosed
CN-101312957-A 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (ptpase) NOVARTIS AG (CH) 2008-11-26 CN disclosed
EP-1973546-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Merck & Co., Inc. (US) 2008-10-01 EP disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
EP-1963294-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007081570-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK & CO., INC. (US) 2007-07-19 WO disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 WO disclosed
WO-2007067613-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2007-06-14 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 (7 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP IDO1 4464/4885ALDH1A1 3603/4885CYP3A4 763/4885
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR IDO1 192/4885ALDH1A1 2398/4885CYP3A4 3432/4885
US-10759769-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 IDO1 3713/4885ALDH1A1 1342/4885CYP3A4 3339/4885
US-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 IDO1 3713/4885ALDH1A1 1342/4885CYP3A4 3339/4885
US-20190248754-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 IDO1 3713/4885ALDH1A1 1342/4885CYP3A4 3339/4885
US-10227312-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 IDO1 3713/4885ALDH1A1 1342/4885CYP3A4 3339/4885
US-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors CETP, APOB, MTTP IDO1 4666/4885ALDH1A1 1674/4885CYP3A4 749/4885

“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.