SCHEMBL276254

SCHEMBL276254

[O]c1cc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.55
CYP2A6 P11509 4/20 0.54
BCL2L1 Q07817 1/20 0.52
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
ASIC3 Q9UHC3 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
MGLL Q99685 1/20 0.48
CA9 Q16790 4/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 2/20 0.47

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
Hydrogen Sulfide SCHEMBL29219564 0.98 CA2 (0.53) CA2CYP2A6BCL2L1HDAC3HDAC4
SCHEMBL329294 0.75 CA2 (0.71) CA2CYP2A6BCL2L1HDAC3HDAC4
SCHEMBL29732980 0.74 APP (0.63) CA2CYP2A6BCL2L1HDAC3HDAC4
SCHEMBL845603 0.74 APP (0.63) CA2CYP2A6BCL2L1HDAC3HDAC4
SCHEMBL329449 0.73 CA2 (0.69) CA2CYP2A6BCL2L1HDAC3HDAC4
SCHEMBL734280 0.72 CYP2A6 (0.50) CA2CYP2A6BCL2L1HDAC3HDAC4
SCHEMBL25119616 0.72 CA2 (0.67) CA2CYP2A6BCL2L1HDAC3HDAC4
SCHEMBL743918 0.72 CA2 (0.67) CA2CYP2A6BCL2L1HDAC3HDAC4
SCHEMBL792780 0.72 CA2 (1.00) CA2CA9CA1
SCHEMBL12157405 0.72 CA2 (0.67) CA2CYP2A6BCL2L1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190221750-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-18 US claimed
US-20190185457-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2019-06-20 US claimed
CN-101610995-A Novel glucagon receptor antagonists METABASIS THERAPEUTICS INC (US) 2009-12-23 CN claimed
EP-1426361-B1 Novel composition containing a bi-cyclic compound and a glyceride SUCAMPO AG (CH) 2008-07-30 EP claimed
US-6576628-B1 Matrix metalloprotease inhibitors; arthritis, corneal ulcers, arteriosclerosis ROCHE DIAGNOSTICS GMBH (DE) 2003-06-10 US claimed
US-5594020-A FUNGICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-01-14 US claimed
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP claimed
US-4595769-A Carbamate-sulfenyl-carbamoyl fluoride compounds UNION CARBIDE CORPORATION (US) 1986-06-17 US claimed
US-4369189-A INSECTICIDES, MITICIDES NEMATOCIDES UNION CARBIDE CORPORATION (US) 1983-01-18 US claimed
US-11997917-B2 Quantum dot electroluminescence device SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-05-28 US disclosed
EP-4371979-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2024-05-22 EP disclosed
EP-3674290-B1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2024-05-22 EP disclosed
EP-4366733-A1 TETRAHYDROPYRAZOLOPYRIDINE-ANALOG LIGANDS OF NLRX1 AND USES THEREOF LANDOS BIOPHARMA, INC. (US) 2024-05-15 EP disclosed
US-20240114765-A1 QUANTUM DOT ELECTROLUMINESCENCE DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2024-04-04 US disclosed
EP-0033255-B1 OXIMES DERIVED FROM ERYTHROMYCIN A, THEIR PREPARATION, THEIR APPLICATION IN PHARMACEUTICALS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1984-08-29 EP disclosed
US-4369189-A INSECTICIDES, MITICIDES NEMATOCIDES UNION CARBIDE CORPORATION (US) 1983-01-18 US disclosed
US-4349545-A Novel erythromycin a derivatives ROUSSEL UCLAF (FR) 1982-09-14 US disclosed
US-4338450-A Carbamate-sulfenyl-carbamoyl fluoride compounds UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed
EP-0033255-A1 Oximes derived from erythromycin A, their preparation, their application in pharmaceuticals and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1981-08-05 EP disclosed
US-3931240-A ANTIDEPRESSANT, ANTIAGGRESSION LABAZ (FR) 1976-01-06 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-20190185457-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND CRY1, NAP1L1, CYP1A1 CA2 4351/4885CYP2A6 499/4885BCL2L1 1441/4885
US-20190221750-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND CRY1, CRY2, MCM4 CA2 3005/4885CYP2A6 2614/4885BCL2L1 887/4885

“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.