SCHEMBL496802

SCHEMBL496802

COC(=O)c1nc(N)sc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
KDM4E B2RXH2 5/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
HPGD P15428 2/20 1.00
HSD17B10 Q99714 2/20 1.00
PKM P14618 4/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
RCE1 Q9Y256 1/20 0.65
GAA P10253 4/20 0.59
GRM6 O15303 1/20 0.54
GRM5 P41594 1/20 0.54
MAPT P10636 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
CYP3A4 P08684 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
SCHEMBL12437400 0.87 KDM4E (0.76) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL926725 0.87 KDM4E (0.77) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL9586961 0.85 KDM4E (1.00) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL496375 0.85 KDM4E (0.75) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL496473 0.85 KDM4E (0.73) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL3317624 0.84 ALDH1A1 (0.72) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL496405 0.84 KDM4E (0.71) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL2928657 0.84 KDM4E (0.71) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL984899 0.84 KDM4E (0.72) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL982083 0.84 KDM4E (0.72) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3676261-B1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LTD (GB) 2024-12-18 EP disclosed
EP-3512602-B1 INHIBITORS OF HEAT SHOCK FACTORS (HSF) AND USES THEREOF HSF PHARMACEUTICALS (CH) 2024-03-27 EP disclosed
CN-111315734-B Substituted 2-azabicyclo [3.1.1] heptane and 2-azabicyclo [3.2.1] octane derivatives as orexin receptor antagonists 克罗诺斯治疗有限公司 2024-03-08 CN disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 US disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 US disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 US disclosed
US-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2023-03-07 US disclosed
US-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2023-03-07 US disclosed
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2022-10-20 US disclosed
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2021-07-22 US disclosed
EP-1343778-A2 DI-SUBSTITUTED AMINOMETHYL CHROMAN DERIVATIVE BETA-3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2003-09-17 EP disclosed
WO-2003037332-A1 PHENYL SUBSTITUTED 5-MEMBERED NITROGEN CONTAINING HETEROCYCLES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-08 WO disclosed
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 US disclosed
US-20030078258-A1 Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 US disclosed
WO-2003024948-A1 BENZOFURAN AND DIHYDROBENZOFURAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2003-03-27 WO disclosed
WO-2002085891-A1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-10-31 WO disclosed
WO-2002048134-A2 DI-SUBSTITUTED AMINOMETHYL CHROMAN DERIVATIVE BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-06-20 WO disclosed
US-5204482-A Ethylenediamine monoamide heteroaryl derivatives HOFFMAN-LAROCHE INC. (US) 1993-04-20 US disclosed
US-5011849-A Monoamine oxidase inhibitors HOFFMANN-LA ROCHE INC. (US) 1991-04-30 US disclosed
US-4298375-A REDUCTION OF HERBICIDAL INJURY TO SORGHUM PLANTS MONSANTO COMPANY (US) 1981-11-03 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 (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-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 ALDH1A1 2641/4885KDM4E 2977/4885SMN1; SMN2 4284/4885
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 ALDH1A1 2641/4885KDM4E 2977/4885SMN1; SMN2 4284/4885
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ALDH1A1 589/4885KDM4E 2153/4885SMN1; SMN2 1974/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ALDH1A1 1358/4885KDM4E 4345/4885SMN1; SMN2 1888/4885
US-20030078258-A1 Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists ADRB3, ADRB1, ADRB2 ALDH1A1 1696/4885KDM4E 2936/4885SMN1; SMN2 3858/4885
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists HCRTR2, HCRTR1, NPY1R ALDH1A1 589/4885KDM4E 2153/4885SMN1; SMN2 1974/4885

“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.