SCHEMBL653529

SCHEMBL653529

N[CH]Cc1cc2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.63
AOC3 Q16853 2/20 0.48
HRH3 Q9Y5N1 1/20 0.46
AHR P35869 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
CYP2A6 P11509 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
IDO1 P14902 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL4333117 0.85 LOXL2 (0.59) LOXL2AOC3HRH3AHRHRH4
SCHEMBL5642064 0.82 LOXL2 (0.60) LOXL2AOC3HRH3AHRHRH4
SCHEMBL2592547 0.82 LOXL2 (0.60) LOXL2AOC3HRH3AHRHRH4
SCHEMBL7549813 0.81 LOXL2 (0.59) LOXL2AOC3HRH3AHRHRH4
SCHEMBL7355775 0.81 LOXL2 (0.59) LOXL2AOC3HRH3AHRHRH4
SCHEMBL325463 0.81 LOXL2 (0.58) LOXL2AOC3HRH3AHRHRH4
SCHEMBL2485760 0.81 LOXL2 (0.58) LOXL2AOC3HRH3AHRHRH4
SCHEMBL108898 0.81 LOXL2 (0.58) LOXL2AOC3HRH3AHRHRH4
SCHEMBL31105584 0.81 LOXL2 (0.58) LOXL2AOC3HRH3AHRHRH4
SCHEMBL29796415 0.81 LOXL2 (0.58) LOXL2AOC3HRH3AHRHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230104311-A1 NOVEL 6-SUBSTITUTED 7-DEAZAPURINES AND CORRESPONDING NUCLEOSIDES AS MEDICAMENTS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-04-06 US disclosed
EP-4106763-A1 NOVEL 6-SUBSTITUTED 7-DEAZAPURINES AND CORRESPONDING NUCLEOSIDES AS MEDICAMENTS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2022-12-28 EP disclosed
CN-115515593-A Novel 6-substituted 7-deazapurines and corresponding nucleosides as medicaments 勒芬天主教大学 2022-12-23 CN disclosed
EP-2864312-B1 NOVEL ANTI-CANCER THIOPHENE COMPOUNDS UNIV LEUVEN KATH (BE) 2021-09-22 EP disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-05-23 US disclosed
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections GILEAD SCIENCES, INC. (US) 2018-12-04 US disclosed
EP-2923734-B1 PURINE ANALOGUES AND THEIR USE AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2018-01-10 EP disclosed
US-9822127-B2 GAK modulators as antivirals THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-11-21 US disclosed
EP-1577282-A2 Metal complexes for use in olefin methathesis and atom or group transfer reactions Universiteit Gent (BE) 2005-09-21 EP disclosed
WO-2005084529-A2 METHOD OF DETERMINING THE SYMPATHETIC TONE AND SYSTEM FOR MEASUREMENT THEREOF STRESSMETER A/S (DK) 2005-09-15 WO disclosed
WO-2005085268-A2 PHOSPONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2005-09-15 WO disclosed
US-20050159581-A1 Method of preparing derivatives of polyarylene vinylene and method of preparing an electronic device including same LIMBURGS UNIVERSITAIR CENTRUM (BE) 2005-07-21 US disclosed
EP-1548044-A2 Method of preparing derivatives of polyarylene vinylene and method of preparing an electronic device including same INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM VZW (BE) 2005-06-29 EP disclosed
EP-1529794-A1 Method of preparing derivatives of polyarylene vinylene and method of preparing an electronic device including same INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM VZW (BE) 2005-05-11 EP disclosed
WO-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 WO disclosed
WO-2005035121-A2 SCHIFF BASE METAL COMPLEXES FOR USE AS CATALYSTS IN ORGANIC SYNTHESIS UNIVERSITEIT GENT (BE) 2005-04-21 WO disclosed
US-20050043541-A1 Metal complexes useful in metathesis and other reactions RIMTEC CORPORATION (JP) 2005-02-24 US disclosed
WO-2004104005-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-12-02 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 (6 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-20050043541-A1 Metal complexes useful in metathesis and other reactions TST, ETFA, TTPA LOXL2 3336/4885AOC3 321/4885HRH3 4652/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 LOXL2 2084/4885AOC3 798/4885HRH3 168/4885
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 LOXL2 4397/4885AOC3 2466/4885HRH3 1589/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 LOXL2 4397/4885AOC3 2466/4885HRH3 1589/4885
US-20230104311-A1 NOVEL 6-SUBSTITUTED 7-DEAZAPURINES AND CORRESPONDING NUCLEOSIDES AS MEDICAMENTS ADA, ADAR, TPMT LOXL2 4491/4885AOC3 47/4885HRH3 2908/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 LOXL2 3514/4885AOC3 1064/4885HRH3 123/4885

“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.