SCHEMBL1854449

SCHEMBL1854449

[NH]Cc1cc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.64
AHR P35869 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
HRH4 Q9H3N8 1/20 0.49
AOC3 Q16853 2/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
IDO1 P14902 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
OPRK1 P41145 1/20 0.45

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
SCHEMBL6165439 0.83 LOXL2 (0.60) LOXL2AHRHRH3HRH4AOC3
SCHEMBL7169246 0.82 LOXL2 (0.69) LOXL2AHRHRH3HRH4AOC3
SCHEMBL31059889 0.82 LOXL2 (0.69) LOXL2AHRHRH3HRH4AOC3
SCHEMBL28338445 0.82 LOXL2 (0.69) LOXL2AHRHRH3HRH4AOC3
SCHEMBL401081 0.82 LOXL2 (0.69) LOXL2AHRHRH3HRH4AOC3
SCHEMBL29403791 0.82 LOXL2 (0.69) LOXL2AHRHRH3HRH4AOC3
SCHEMBL28335219 0.80 LOXL2 (0.67) LOXL2AHRHRH3AOC3MTNR1A
SCHEMBL5642064 0.79 LOXL2 (0.60) LOXL2AHRHRH3HRH4AOC3
SCHEMBL2592547 0.79 LOXL2 (0.60) LOXL2AHRHRH3HRH4AOC3
SCHEMBL6860219 0.78 LOXL2 (0.64) LOXL2AHRHRH3HRH4AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092773-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES UCB Biopharma SRL (BE) 2024-03-21 US claimed
WO-2021130257-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES UCB Biopharma SRL (BE) 2021-07-01 WO claimed
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US claimed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US claimed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP claimed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO claimed
US-20240092773-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES UCB Biopharma SRL (BE) 2024-03-21 US disclosed
CN-115093408-A Benzylamine-containing 5, 6-heteroaromatic compounds useful against mycobacterial infections 盐野义制药株式会社 2022-09-23 CN disclosed
EP-3412663-B1 NITROGEN-CONTAINING HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2022-09-07 EP disclosed
US-20220235047-A1 A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME bc1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN AND CLOFAZIMINE SHIONOGI & CO., LTD. (JP) 2022-07-28 US disclosed
EP-4028130-A1 BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION Shionogi & Co., Ltd (JP) 2022-07-20 EP disclosed
WO-2022119899-A1 A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME BC1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN SHIONOGI & CO., LTD. (JP) 2022-06-09 WO disclosed
CN-114401965-A Benzylamine-containing 5, 6-heteroaromatic compounds useful against mycobacterial infections 盐野义制药株式会社 2022-04-26 CN disclosed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP disclosed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
EP-0576357-A1 Pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-12-29 EP disclosed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 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 (3 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-20240092773-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES FCER2, FCGR2A, FCGR1A LOXL2 3819/4885AHR 1045/4885HRH3 17/4885
US-20220235047-A1 A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME bc1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN AND CLOFAZIMINE CYC1, MT-CO1, ABCB11 LOXL2 4816/4885AHR 3623/4885HRH3 4501/4885
US-20140187553-A1 Azole Compounds as PIM Inhibitors PIM1, PIM3, PIM2 LOXL2 4550/4885AHR 313/4885HRH3 4439/4885

“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.