SCHEMBL920107

SCHEMBL920107

CCOc1cccc(C(=O)CBr)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
RECQL P46063 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TP53 P04637 1/20 0.53
GSK3B P49841 1/20 0.53
LMNA P02545 3/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NR1H4 Q96RI1 1/20 0.52
HTT P42858 1/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51

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
SCHEMBL5057129 0.87 KMT2A (0.69) KMT2ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL11044058 0.86 HPGD (0.56) HPGDKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5051428 0.86 THRB (0.60) KMT2AMEN1GSK3BMAPK1NR1H4
SCHEMBL7913254 0.85 HPGD (0.55) HPGDKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8085066 0.84 THRB (0.66) KMT2AGSK3BNR1H4
SCHEMBL9559962 0.83 HPGD (0.54) HPGDKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2379429 0.83 RAB9A (0.55) HPGDKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5312197 0.83 THRB (0.68) KMT2ANR1H4
SCHEMBL29381265 0.83 CES2 (0.65) KMT2ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL202150 0.83 CES2 (0.65) KMT2ASMN1; SMN2ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1013444-B PROCESS FOR THE PREPARATION OF A NOVEL CLASS OF HYPOGLYCEMIC AGENTS LILLY CO ELI (US) 1991-08-07 CN claimed
WO-2017214505-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2017-12-14 WO disclosed
EP-1784400-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2015-01-14 EP disclosed
US-7871998-B2 Diphenylazetidinone derivatives possessing cholesterol absorption inhibitory activity ASTRAZENECA AB (SE) 2011-01-18 US disclosed
EP-1699759-B1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-10-20 EP disclosed
US-7705025-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-04-27 US disclosed
US-20100099657-A2 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses FINLEY DON RICHARD 2010-02-04 US disclosed
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
EP-0713848-A1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS Company, Limited (JP) 1996-05-29 EP disclosed
EP-0182533-B1 3-(2-ARYL-2-OXOETHYL)-IMIDAZOLIUM SALTS AS HYPOGLYCEMIC AGENTS ELI LILLY AND COMPANY (US) 1989-09-20 EP disclosed
US-4683312-A ANTIDIABETIC AGENTS ELI LILLY AND COMPANY (US) 1987-07-28 US disclosed
US-4609670-A ANTIDIABETIC AGENTS ELI LILLY AND COMPANY (US) 1986-09-02 US disclosed
EP-0182533-A2 3-(2-Aryl-2-oxoethyl)-imidazolium salts as hypoglycemic agents ELI LILLY AND COMPANY (US) 1986-05-28 EP disclosed
EP-0016277-B1 2-CARBONYL-3-HYDROXY-ALKENONITRILES, THEIR USE AS ANTI-ARTHRITIC AGENTS AND PROCESSES FOR THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1981-12-02 EP disclosed
EP-0016277-A1 2-Carbonyl-3-hydroxy-alkenonitriles, their use as anti-arthritic agents and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-10-01 EP disclosed
WO-1980000964-A1 ANTI-INFLAMMATORY AGENTS INCLUDING 2-CARBONYL-3-HYDROXY-2-ALKENONITRILES AMERICAN CYANAMID CO (US) 1980-05-15 WO disclosed
US-4173650-A ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1979-11-06 US disclosed
US-4033978-A Thiacycl[2.2.2]azine carboxylic acids SYNTEX (U.S.A.) INC. (US) 1977-07-05 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-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses HRH3, HRH4, HCRTR1 HPGD 1463/4885KMT2A 127/4885SMN1; SMN2 1863/4885
US-20100099657-A2 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 HPGD 323/4885KMT2A 3616/4885SMN1; SMN2 4751/4885

“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.