SCHEMBL3545870

SCHEMBL3545870

Cc1ccc(Br)cc1C(=O)N(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
CES2 O00748 1/20 0.47
GALR3 O60755 1/20 0.47
LMNA P02545 1/20 0.46
MYC P01106 1/20 0.45
NR4A1 P22736 1/20 0.45
HPGD P15428 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42
NCEH1 Q6PIU2 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.40
SORT1 Q99523 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL132169 0.85 ALDH1A1 (0.61) ALDH1A1CES2GALR3LMNAMYC
SCHEMBL29696047 0.82 ALDH1A1 (0.46) ALDH1A1CES2GALR3MYCNR4A1
SCHEMBL156978 0.82 ALDH1A1 (0.46) ALDH1A1CES2GALR3MYCNR4A1
SCHEMBL12261048 0.81 CES2 (0.68) ALDH1A1CES2GALR3LMNAHPGD
SCHEMBL10082156 0.80 USP2 (0.57) ALDH1A1CES2GALR3LMNAMYC
SCHEMBL10389402 0.80 MEN1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21177350 0.80 ALDH1A1 (0.44) ALDH1A1CES2GALR3MYCNR4A1
SCHEMBL758585 0.79 ALDH1A1 (0.64) ALDH1A1CES2GALR3LMNAMYC
SCHEMBL3489434 0.79 ALDH1A1 (0.64) ALDH1A1CES2GALR3LMNAMYC
SCHEMBL1516638 0.79 ALDH1A1 (0.64) ALDH1A1CES2GALR3LMNAMYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365610-A1 Aryl Glucoside Derivative SHANGHAI ZHEYE BIOTECHNOLOGY CO. LTD. (CN) 2023-11-16 US disclosed
US-20230331761-A1 Aryl Glucoside Derivative, Preparation Method Therefor And Application Thereof SHANGHAI ZHEYE BIOTECHNOLOGY CO. LTD. (CN) 2023-10-19 US disclosed
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 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-20230331761-A1 Aryl Glucoside Derivative, Preparation Method Therefor And Application Thereof SLC5A1, SLC5A2, SLC10A1 ALDH1A1 449/4885CES2 936/4885GALR3 1023/4885
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 ALDH1A1 371/4885CES2 3012/4885GALR3 3826/4885
US-20230365610-A1 Aryl Glucoside Derivative SLC5A1, SLC5A2, SLC10A1 ALDH1A1 514/4885CES2 1342/4885GALR3 473/4885

“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.