SCHEMBL3464366

SCHEMBL3464366

CC(C)c1cc2c(cc1Br)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
MAPT P10636 2/20 0.50
GLA P06280 2/20 0.44
CYP2D6 P10635 3/20 0.37
ALOX15 P16050 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
TAAR1 Q96RJ0 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL12210461 0.84 TAAR1 (0.42) ALDH1A1GAAMAPTCYP2D6ALOX15
SCHEMBL11384732 0.80 ALDH1A1 (0.44) ALDH1A1GAAMAPTGLACYP2D6
SCHEMBL11095079 0.79 ALDH1A1 (0.46) ALDH1A1GAAMAPTGLACYP2D6
SCHEMBL21035429 0.79 CYP3A4 (0.37) ALDH1A1GAAMAPTGLACYP2D6
SCHEMBL9860607 0.79 ALDH1A1 (0.47) ALDH1A1GAAMAPTGLACYP2D6
SCHEMBL11974261 0.77 MAPT (0.39) ALDH1A1GAAMAPTCYP2D6ALOX15
SCHEMBL1751672 0.77 AHR (0.53) ALDH1A1GAAMAPTCYP2D6CYP1A2
SCHEMBL24192821 0.75 CYP3A4 (0.38) ALDH1A1GAAMAPTGLACYP2D6
SCHEMBL172849 0.75 CYP1A2 (0.55) ALDH1A1GAAMAPTCYP2D6ALOX15
SCHEMBL23771835 0.75 SMAD3 (0.38) CYP2D6ALOX15CYP1A2CYP3A4CYP2C9

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190161451-A1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2019-05-30 US disclosed
WO-2018019554-A1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2018-02-01 WO disclosed
EP-2185547-B1 IMIDAZOLONE DERIVATIVES, PREPARATION METHOD THEREOF AND BIOLOGICAL USE OF SAME UNIV RENNES (FR) 2017-07-19 EP disclosed
US-8563588-B2 Imidazolone derivatives, method for the preparation thereof and biological applications UNIVERSITE DE RENNES 1 (FR) 2013-10-22 US disclosed
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
US-20100216855-A1 IMIDAZAOLONE DERIVATIVES,PREPARATION THEREOF AND BIOLOGICAL USE OF SAME UNIVERSITE DE RENNES (FR) 2010-08-26 US disclosed
US-20100216855-A1 IMIDAZAOLONE DERIVATIVES,PREPARATION THEREOF AND BIOLOGICAL USE OF SAME UNIVERSITE DE RENNES (FR) 2010-08-26 US disclosed
EP-2183221-A1 NEW COMPOUNDS AS HSP90 INHIBITORS Crystax Pharmaceuticals S.L. (ES) 2010-05-12 EP disclosed
WO-2009007399-A1 NEW COMPOUNDS AS HSP90 INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-01-15 WO disclosed
US-5475024-A Useful in treating liver disease EISAI CO., LTD. (JP) 1995-12-12 US disclosed
US-5292901-A Benzodioxole derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
EP-0281098-B1 BENZODIOXOLE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME, AND THE USE OF THE SAME FOR THE MANUFACTURE OF MEDICAMENTS Eisai Co., Ltd. (JP) 1992-11-25 EP disclosed
US-5110956-A Liver disorders EISAI CO., LTD. (JP) 1992-05-05 US disclosed
EP-0281098-A1 Benzodioxole derivatives, compositions comprising the same, and the use of the same for the manufacture of medicaments Eisai Co., Ltd. (JP) 1988-09-07 EP 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 (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-20100216855-A1 IMIDAZAOLONE DERIVATIVES,PREPARATION THEREOF AND BIOLOGICAL USE OF SAME NR0B2, HRH1, HRH2 ALDH1A1 623/4885GAA 4683/4885MAPT 4789/4885
US-20190161451-A1 HERBICIDAL PYRIMIDINE COMPOUNDS DPYD, TYMP, DHFR ALDH1A1 216/4885GAA 414/4885MAPT 2448/4885
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 ALDH1A1 1875/4885GAA 2505/4885MAPT 1807/4885

“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.