SCHEMBL444367

SCHEMBL444367

O=C(O)c1ccc(-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.90

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.90
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 1/20 0.61
CRHBP P24387 1/20 0.61
RAB9A P51151 1/20 0.61
CRHR2 Q13324 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MARS1 P56192 8/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
ADH5 P11766 1/20 0.54
SRD5A1 P18405 1/20 0.53
MAP4K4 O95819 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50

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
SCHEMBL23484575 0.89 SRD5A2 (0.73) SRD5A2KDM4ENPC1CRHBPRAB9A
SCHEMBL6253145 0.89 SRD5A2 (0.72) SRD5A2KDM4ENPC1CRHBPRAB9A
Hydrochloric Acid SCHEMBL9812960 0.87 SRD5A2 (0.70) SRD5A2KDM4ENPC1CRHBPRAB9A
SCHEMBL5705016 0.86 SRD5A2 (0.69) SRD5A2KDM4ENPC1CRHBPRAB9A
SCHEMBL4300785 0.85 SRD5A2 (0.68) SRD5A2KDM4ENPC1CRHBPRAB9A
SCHEMBL8779218 0.85 SRD5A2 (0.68) SRD5A2KDM4ENPC1CRHBPRAB9A
SCHEMBL29788156 0.85 SRD5A2 (0.68) SRD5A2KDM4ENPC1CRHBPRAB9A
SCHEMBL2050887 0.85 SRD5A2 (0.68) SRD5A2KDM4ENPC1CRHBPRAB9A
SCHEMBL30837198 0.84 SRD5A2 (0.66) SRD5A2KDM4ENPC1CRHBPRAB9A
SCHEMBL10717595 0.84 SRD5A2 (0.66) SRD5A2RXRARXRBADH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US claimed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US claimed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP claimed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO claimed
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 US claimed
WO-2004006923-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2004-01-22 WO claimed
CN-114773249-B Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2024-08-16 CN disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
CN-114773249-A Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2022-07-22 CN disclosed
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2021-07-27 US disclosed
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2020-11-05 US disclosed
US-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2020-09-22 US disclosed
WO-2004024702-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-25 WO disclosed
WO-2004006924-A1 ARYL PIPERIDINE DERIVATIVES AND USE THEREOF TO REDUCE ELEVATED LEVELS OF LDL-CHOLESTEROL GLAXO GROUP LIMITED (GB) 2004-01-22 WO disclosed
WO-2004006923-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2004-01-22 WO disclosed
EP-1140072-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-04-16 EP disclosed
EP-1140072-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-10 EP disclosed
WO-2001064213-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 WO disclosed
WO-2000040239-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-13 WO 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-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 SRD5A2 1080/4885KDM4E 4211/4885NPC1 737/4885
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R SRD5A2 1328/4885KDM4E 492/4885NPC1 2495/4885
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 SRD5A2 3298/4885KDM4E 916/4885NPC1 4357/4885
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 SRD5A2 1080/4885KDM4E 4211/4885NPC1 737/4885
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 SRD5A2 1080/4885KDM4E 4211/4885NPC1 737/4885
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R SRD5A2 1228/4885KDM4E 2042/4885NPC1 689/4885

“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.