SCHEMBL92972

SCHEMBL92972

N#Cc1cccc(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
MEP1A Q16819 1/20 0.49
MEP1B Q16820 1/20 0.49
ENPP2 Q13822 2/20 0.48
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
FFAR1 O14842 2/20 0.46
LMNA P02545 1/20 0.46
GSK3B P49841 2/20 0.46
DAO P14920 1/20 0.45
IDH1 O75874 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
FOLH1 Q04609 1/20 0.45
NOTUM Q6P988 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
VNN1 O95497 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
SCHEMBL29478750 1.00 GLA (0.50) GLAMEP1AMEP1BENPP2CYP19A1
Bromide SCHEMBL29784624 0.98 GLA (0.49) GLAMEP1AMEP1BENPP2CYP19A1
Ammonia Solution, Strong SCHEMBL3939346 0.91 LMNA (0.44) GLAMEP1AMEP1BENPP2CYP19A1
SCHEMBL688074 0.88 PRKCI (0.53) ENPP2CYP11B1CYP11B2
SCHEMBL4030533 0.85 GSK3B (0.54) MEP1AMEP1BFFAR1LMNAGSK3B
SCHEMBL15494643 0.84 CYP11B1 (0.48) CYP11B1CYP11B2FFAR1FFAR4
SCHEMBL3166642 0.84 MAOA (0.42) GLAMEP1AMEP1BENPP2CYP19A1
SCHEMBL320197 0.83 HRH3 (0.49) GLAMEP1AMEP1BENPP2CYP19A1
SCHEMBL31088387 0.83 GLA (0.47) GLAMEP1AMEP1BENPP2CYP19A1
SCHEMBL2154019 0.82 GLA (0.53) GLAMEP1AMEP1BENPP2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4141002-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS Incyte Corporation (US) 2023-03-01 EP claimed
US-11572366-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2023-02-07 US claimed
WO-2022151968-A1 METHOD FOR PURIFYING KEY INTERMEDIATES OF CITALOPRAM 浙江华海药业股份有限公司 2022-07-21 WO claimed
CN-113557236-B Bifunctional immunomodulator, pharmaceutically acceptable salt thereof and pharmaceutical composition 中国科学院广州生物医药与健康研究院 2022-05-10 CN claimed
CN-113557236-A Bifunctional immunomodulator, pharmaceutically acceptable salt thereof and pharmaceutical composition 中国科学院广州生物医药与健康研究院 2021-10-26 CN claimed
US-20210221819-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2021-07-22 US claimed
WO-2020248908-A1 BIFUNCTIONAL IMMUNOMODULATOR, AND PHARMACEUTICALLY ACCEPTABLE SALT AND PHARMACEUTICAL COMPOSITION THEREOF 中国科学院广州生物医药与健康研究院 2020-12-17 WO claimed
EP-3377488-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS Incyte Corporation (US) 2018-09-26 EP claimed
US-20170145025-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2017-05-25 US claimed
EP-2970328-B1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-04-26 EP 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
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
US-6187945-B1 TRANSFORMING AN AMINOMETHYL GROUP OF A CYANOBENZYLAMINE COMPOUND INTO A HYDROXYMETHYL GROUP, A HALOMETHYL GROUP, OR AN ACYLOXYMETHYL GROUP BY DIAZOTIZATION AND HYDROXYLATION, HALOGENATION OR ACYLATION SHOWA DENKO K.K. (JP) 2001-02-13 US claimed
EP-1004574-A1 Process for producing cyanobenzyl compounds Showa Denko Kabushiki Kaisha (JP) 2000-05-31 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
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US claimed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP claimed
US-4348393-A ANTIDEPRESSANTS DELALANDE S.A. (FR) 1982-09-07 US claimed
US-4346102-A ANTIDEPRESSANTS DELALANDE S.A. (FR) 1982-08-24 US 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 (4 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-20210221819-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS GLA 1384/4885MEP1A 1097/4885MEP1B 1008/4885
US-20170145025-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS GLA 1384/4885MEP1A 1097/4885MEP1B 1008/4885
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP GLA 2556/4885MEP1A 1809/4885MEP1B 1016/4885
US-11572366-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS GLA 1384/4885MEP1A 1097/4885MEP1B 1008/4885

“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.