SCHEMBL11033045

SCHEMBL11033045

O=C=NCc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.41
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NAAA Q02083 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
ALOX15 P16050 1/20 0.37
TRPA1 O75762 2/20 0.35
MIF P14174 1/20 0.35
HPGD P15428 1/20 0.35
FDPS P14324 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL21089 0.83 MIF (0.44) ALDH1A1CYP3A4CYP1A2TRPA1MIF
Water SCHEMBL29040332 0.80 MIF (0.43) ALDH1A1CYP3A4TRPA1MIFHPGD
Water SCHEMBL14972874 0.80 MIF (0.43) ALDH1A1CYP3A4TRPA1MIFHPGD
SCHEMBL22471901 0.80 MIF (0.43) ALDH1A1CYP3A4TRPA1MIFHPGD
SCHEMBL2917458 0.77 MIF (0.61) LOXL2ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL31094964 0.76 MIF (0.40) ALDH1A1CYP3A4TRPA1MIFHPGD
Cyclohexane SCHEMBL28302863 0.76 MIF (0.40) ALDH1A1CYP3A4TRPA1MIFHPGD
SCHEMBL1172136 0.76 MIF (0.60) LOXL2ALDH1A1CYP3A4TRPA1MIF
SCHEMBL1330511 0.76 MIF (0.60) LOXL2ALDH1A1CYP3A4TRPA1MIF
SCHEMBL5466297 0.76 CYP3A4 (0.54) ALDH1A1CYP3A4CYP1A2CYP2C9HSD17B10

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078130-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF SIRONAX LTD (KY) 2026-03-19 US disclosed
EP-4590674-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2025-07-30 EP disclosed
CN-119285610-A Dual-mode multi-response fluorescent probe and application thereof 华中科技大学鄂州工业技术研究院 2025-01-10 CN disclosed
CN-110938109-B O-quinone compound, preparation method and medical application thereof 中国药科大学 2022-05-24 CN disclosed
CN-110963997-A Heterocyclic amide compound, pharmaceutical composition containing same, and preparation method and application of heterocyclic amide compound 四川科伦博泰生物医药股份有限公司 2020-04-07 CN disclosed
CN-110938109-A O-quinone compound, preparation method and medical application thereof 中国药科大学 2020-03-31 CN disclosed
US-20200031822-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-01-30 US disclosed
US-7271171-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-09-18 US disclosed
US-7271171-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-09-18 US disclosed
EP-0056637-B1 4(3H)-QUINAZOLINONE DERIVATIVES, PROCESS FOR PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS Ishikawa, Masayuki (JP) 1985-07-24 EP disclosed
US-4451467-A HYPOTENSIVE AGENTS Ishikawa, Masayuki (JP) 1984-05-29 US disclosed
US-4349552-A TREATMENT OF CANCER FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1982-09-14 US disclosed
EP-0056637-A1 4(3H)-quinazolinone derivatives, process for production thereof and pharmaceutical compositions comprising said compounds Ishikawa, Masayuki (JP) 1982-07-28 EP disclosed
EP-0010941-B1 5-FLUOROURACIL DERIVATIVES, PREPARATION THEREOF AND THEIR PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-05-12 EP disclosed
EP-0010941-A1 5-Fluorouracil derivatives, preparation thereof and their pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-05-14 EP 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-20260078130-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF NAMPT, NNMT, SARM1 LOXL2 2407/4885ALDH1A1 2719/4885CYP3A4 2054/4885
US-20200031822-A1 CARBOLINE ANTIPARASITICS DRD1, ADRA1D, DRD2 LOXL2 3401/4885ALDH1A1 334/4885CYP3A4 270/4885

“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.