SCHEMBL502583

SCHEMBL502583

O=C(Oc1ccccc1)c1cccnc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.78
LMNA P02545 3/20 0.78
KMT2A Q03164 10/20 0.73
ATM Q13315 1/20 0.73
MAPT P10636 4/20 0.69
KDM4E B2RXH2 1/20 0.69
CYP1A2 P05177 4/20 0.68
CYP2C9 P11712 3/20 0.68
CYP2C19 P33261 3/20 0.68
TSHR P16473 2/20 0.68
THRB P10828 1/20 0.68
CYP3A4 P08684 2/20 0.66
NPC1 O15118 1/20 0.59
POLB P06746 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL21243070 0.93 KMT2A (0.84) ALDH1A1LMNAKMT2AATMMAPT
SCHEMBL12507622 0.89 KMT2A (0.71) ALDH1A1LMNAKMT2AATMMAPT
SCHEMBL23488239 0.88 KMT2A (0.72) ALDH1A1LMNAKMT2AATMMAPT
SCHEMBL9717156 0.85 KMT2A (0.72) ALDH1A1LMNAKMT2AATMMAPT
SCHEMBL5240749 0.85 KMT2A (1.00) ALDH1A1LMNAKMT2AATMMAPT
SCHEMBL31006272 0.85 KMT2A (1.00) ALDH1A1LMNAKMT2AATMMAPT
SCHEMBL29603721 0.85 KMT2A (1.00) ALDH1A1LMNAKMT2AATMMAPT
SCHEMBL8061344 0.85 KMT2A (0.68) ALDH1A1LMNAKMT2AATMMAPT
SCHEMBL10632092 0.84 ALDH1A1 (0.78) ALDH1A1LMNAKMT2AATMMAPT
SCHEMBL23488236 0.83 KMT2A (0.70) ALDH1A1LMNAKMT2AATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230107812-A1 HALOGENATED BENZYLIDINE DERIVATIVES Renovel Innovations, Inc. 2023-04-06 US claimed
CN-111393290-B Preparation method of 3,4, 5-trimethylhydroquinone dialkanoate 万华化学集团股份有限公司 2023-03-24 CN claimed
CN-111393290-A Preparation method of 3,4, 5-trimethylhydroquinone dialkanoate 万华化学集团股份有限公司 2020-07-10 CN claimed
WO-2008083034-A1 TRANSDERMAL VITAMIN B12 DELIVERY PATCH NEXAGEN USA, LLC (US) 2008-07-10 WO claimed
US-20080160070-A1 TRANSDERMAL VITAMIN B12 DELIVERY PATCH NEXAGEN USA LLC (US) 2008-07-03 US claimed
EP-1633334-B1 TOPICAL ADMINISTRATION OF VASOACTIVE VITAMIN B3 COMPOUNDS FOR PROMOTING SLEEP PROCTER & GAMBLE (US) 2006-11-15 EP claimed
EP-1633334-A2 A METHOD OF PROMOTING SLEEP USING TOPICAL ADMINISTRATION OF VASOACTIVE AGENTS THE PROCTER & GAMBLE COMPANY (US) 2006-03-15 EP claimed
WO-2005002554-A2 A METHOD OF PROMOTING SLEEP USING TOPICAL ADMINISTRATION OF VASOACTIVE AGENTS THE PROCTER & GAMBLE COMPANY (US) 2005-01-13 WO claimed
US-20040254202-A1 Method of promoting sleep using topical administration of vasoactive agents THE PROCTER & GAMBLE COMPANY 2004-12-16 US claimed
US-20040081672-A1 Niacinamide, niacin, and niacin esters based delivery systems for treating topical disorders of skin and skin aging GUPTA SHYAM K (US) 2004-04-29 US claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
US-12473310-B2 Vitamin D3 phosphate and pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising the compound and methods for preparing the compound KING'S COLLEGE LONDON (GB) 2025-11-18 US disclosed
US-20240392273-A1 FACILITATED DELIVERY OF CONCENTRATED ANTIBODY FORMULATIONS USING HYALURONIDASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-11-28 US disclosed
WO-2024171519-A1 CHOLESTERIC LIQUID CRYSTAL COMPOSITION 日本精化株式会社 2024-08-22 WO disclosed
US-4816373-A SILVER HALIDE PHOTOGRAPHIC LIGHT SENSITIVE MATERIAL MITSUBISHI PAPER MILLS, LTD. (JP) 1989-03-28 US disclosed
US-4795638-A RUBEFACIENT, PLANT EXTRACT, POLYSILOXANE L'OREAL (FR) 1989-01-03 US disclosed
US-4135931-A PYRIDINIUM COMPOUND IN DEVELOPER FUJI PHOTO FILM CO., LTD. (JP) 1979-01-23 US disclosed
US-3953304-A ACETYLENIC DI-PYRIDINIUM COMPOUND DART INDUSTRIES INC. (US) 1976-04-27 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 (2 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-12473310-B2 Vitamin D3 phosphate and pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising the compound and methods for preparing the compound VDR, CYP24A1, CYP2R1 ALDH1A1 2768/4885LMNA 4275/4885KMT2A 4654/4885
US-20230107812-A1 HALOGENATED BENZYLIDINE DERIVATIVES BRD2, MPO, BRD9 ALDH1A1 1995/4885LMNA 3829/4885KMT2A 1147/4885

“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.