SCHEMBL595992

SCHEMBL595992

N#Cc1ccc(C[O])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.58
CYP2A6 P11509 2/20 0.58
CYP19A1 P11511 2/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
CA2 P00918 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CTBP2 P56545 1/20 0.46
IDO1 P14902 2/20 0.45
TSHR P16473 1/20 0.43
GSK3B P49841 1/20 0.43

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 SCHEMBL27473258 0.97 LOXL2 (0.56) LOXL2CYP2A6CYP19A1SAE1UBA2
SCHEMBL8390135 0.80 LOXL2 (0.54) LOXL2CYP2A6CYP19A1SAE1UBA2
SCHEMBL2292554 0.79 LOXL2 (0.58) LOXL2CYP2A6CYP19A1SAE1UBA2
SCHEMBL1344068 0.78 LOXL2 (0.65) LOXL2CYP2A6CYP19A1SAE1UBA2
SCHEMBL1004267 0.78 LOXL2 (0.64) LOXL2CYP2A6CYP19A1SAE1UBA2
SCHEMBL8575705 0.77 TSHR (0.59) LOXL2CYP2A6CYP19A1KCNJ1KCNH2
SCHEMBL5780447 0.77 TSHR (0.55) LOXL2CYP2A6CYP19A1SAE1UBA2
SCHEMBL45942 0.76 CA2 (0.69) LOXL2CYP2A6CA2ALDH1A1CA12
SCHEMBL5358862 0.76 ALDH1A1 (0.37) LOXL2CA2ALDH1A1CA9IDO1
SCHEMBL2503454 0.76 CA2 (0.69) LOXL2CYP2A6CA2ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115925675-A Psamaplin A derivative and preparation method and application thereof 中国海洋大学 2023-04-07 CN claimed
CN-112679400-B Psamaplin A derivative and preparation method and application thereof 青岛海洋生物医药研究院股份有限公司 2022-10-04 CN claimed
CN-112679400-A Psamaplin A derivative and preparation method and application thereof 青岛海洋生物医药研究院股份有限公司 2021-04-20 CN claimed
EP-2970328-B1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-04-26 EP claimed
CN-106008583-A BORON-CONTAINING SMALL MOLECULES 安纳考尔医药公司 2016-10-12 CN claimed
CN-106008571-A Boron-containing small molecules 安纳考尔医药公司 2016-10-12 CN claimed
CN-105358561-A Novel inhibitor compounds of phosphodiesterase type 10a ABBVIE DEUTSCHLAND 2016-02-24 CN claimed
EP-2970328-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP claimed
US-9200005-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2015-12-01 US claimed
US-20140275069-A1 Novel inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US claimed
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP claimed
EP-0237522-B1 PHARMACEUTICALLY ACTIVE DERIVATIVES OF TRYPTOPHAN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1993-02-24 EP claimed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US claimed
CN-1041942-A Pyridine derivate ICI PLC (GB) 1990-05-09 CN claimed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP claimed
EP-0299684-A1 Heterocyclic Compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-18 EP claimed

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-20140275069-A1 Novel inhibitor compounds of phosphodiesterase type 10A PDE5A, PDE3A, PDE3B LOXL2 2713/4885CYP2A6 580/4885CYP19A1 112/4885
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP LOXL2 2440/4885CYP2A6 2117/4885CYP19A1 3118/4885
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP LOXL2 2705/4885CYP2A6 3085/4885CYP19A1 3290/4885

“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.