SCHEMBL3269484

SCHEMBL3269484

Cc1ccc2c(F)cccc2c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
CYP1A2 P05177 3/20 0.37
CYP2A6 P11509 3/20 0.37
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC4 P56524 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
TYMS P04818 1/20 0.32
HPRT1 P00492 1/20 0.31
JAK2 O60674 1/20 0.31
BTK Q06187 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL13169250 0.80 CYP1A2 (0.62) ACHECYP1A2CYP2A6ALDH1A1TSHR
SCHEMBL7530012 0.79 CYP1A2 (0.40) ACHECYP1A2CYP2A6ALDH1A1TSHR
SCHEMBL4228622 0.78 ALDH1A1 (0.42) CYP1A2CYP2A6ALDH1A1TSHRCYP3A4
SCHEMBL3269018 0.75 CYP1A2 (0.54) CYP1A2CYP2A6ALDH1A1TSHRCYP3A4
SCHEMBL7824142 0.75 CYP1A2 (0.68) ACHECYP1A2CYP2A6ALDH1A1TSHR
SCHEMBL2263095 0.75
SCHEMBL29728159 0.75
SCHEMBL12405315 0.74 HPRT1 (0.48) ACHECYP1A2CYP2A6ALDH1A1HPGD
SCHEMBL29618976 0.74 CES2 (0.43) ACHECYP1A2CYP2A6ALDH1A1TSHR
SCHEMBL5015496 0.74 CES2 (0.43) ACHECYP1A2CYP2A6ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3655398-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS Phenex-FXR GmbH (DE) 2020-05-27 EP disclosed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
CN-110914248-A LXR modulators containing amines or (thio) amides 菲尼克斯-FXR股份有限公司 2020-03-24 CN disclosed
WO-2019016269-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2019-01-24 WO disclosed
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
CN-101300244-A Novel cercosporamide derivative DAIICHI SANKYO CO LTD (JP) 2008-11-05 CN disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 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 (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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 ACHE 3302/4885CYP1A2 972/4885CYP2A6 572/4885
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 ACHE 3599/4885CYP1A2 292/4885CYP2A6 524/4885

“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.