SCHEMBL16769481

SCHEMBL16769481

Cc1cc(C(=O)O)ccc1C(Br)Br

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.64
GRM1 Q13255 2/20 0.64
MEN1 O00255 1/20 0.64
CYP1A2 P05177 1/20 0.64
KMT2A Q03164 1/20 0.64
TSHR P16473 3/20 0.47
MYC P01106 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX15 P16050 1/20 0.47
PTPN7 P35236 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ACE2 Q9BYF1 3/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 3/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
HSP90AA1 P07900 1/20 0.41
ESR2 Q92731 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL2627844 0.82 GRM1 (0.66) TDP1GRM1MEN1CYP1A2KMT2A
SCHEMBL17929738 0.82 TSHR (0.46) TDP1GRM1MEN1CYP1A2KMT2A
SCHEMBL17019953 0.81 GRM1 (0.64) TDP1GRM1MEN1CYP1A2KMT2A
SCHEMBL3672152 0.80 GRM1 (0.42) TDP1GRM1MEN1CYP1A2KMT2A
SCHEMBL29242326 0.79 GRM1 (0.72) TDP1GRM1MEN1CYP1A2KMT2A
SCHEMBL26454593 0.79 GRM1 (0.62) TDP1GRM1MEN1CYP1A2KMT2A
SCHEMBL15492061 0.78 TTR (0.47) TDP1GRM1MEN1CYP1A2KMT2A
SCHEMBL1078997 0.78 GRM1 (1.00) TDP1GRM1MEN1CYP1A2KMT2A
SCHEMBL29393013 0.78 GRM1 (1.00) TDP1GRM1MEN1CYP1A2KMT2A
SCHEMBL2269011 0.78 GRM1 (1.00) TDP1GRM1MEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152047-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 US disclosed
US-20150152047-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 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 (1 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-20150152047-A1 BENZAMIDE DERIVATIVE CYP3A5, HDAC6, BRD1 TDP1 3325/4885GRM1 4800/4885MEN1 2226/4885

“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.