SCHEMBL23159243

SCHEMBL23159243

CC(C)(C)[C@@H](c1ccccc1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
CNR2 P34972 3/20 0.38
TACR1 P25103 4/20 0.38
CNR1 P21554 2/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ACP3 P15309 1/20 0.36
SCN4A P35499 2/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 3/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34

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
SCHEMBL17069297 0.86 ACP3 (0.46) ALDH1A1ACP3TSHRHPGD
SCHEMBL19117766 0.83 TSHR (0.52) IDO1TDO2CNR1ALDH1A1SMN1; SMN2
SCHEMBL409949 0.83 TSHR (0.52) IDO1TDO2CNR1ALDH1A1SMN1; SMN2
SCHEMBL5029899 0.82 RIPK1 (0.43) TSHRLMNA
SCHEMBL20747579 0.79 AOC3 (0.45) ALDH1A1SMN1; SMN2ACP3TSHR
SCHEMBL17069273 0.77 IDO1 (0.49) IDO1TDO2
SCHEMBL17069244 0.73 IDO1 (0.47) IDO1TDO2CNR2TACR1CNR1
SCHEMBL23843796 0.73 TSHR (0.61) IDO1TDO2ALDH1A1TSHRLMNA
SCHEMBL17069289 0.72 IDO1 (0.50) IDO1TDO2CNR2TACR1ALDH1A1
SCHEMBL17069291 0.72 IDO1 (0.50) IDO1TDO2CNR2TACR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 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-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 IDO1 2403/4885TDO2 3264/4885CNR2 479/4885

“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.