SCHEMBL18682191

SCHEMBL18682191

CCCc1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.47
KCNH2 Q12809 2/20 0.40
SLC6A4 P31645 2/20 0.40
HTR2A P28223 1/20 0.40
MAOB P27338 1/20 0.39
ADORA1 P30542 1/20 0.39
DDR1 Q08345 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37
AR P10275 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35

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
SCHEMBL18682100 0.85 NOS3 (0.48) POLQKCNH2SLC6A4HTR2ADDR1
SCHEMBL805479 0.85 POLQ (0.52) POLQKCNH2SLC6A4HTR2AMAOB
SCHEMBL14992788 0.81 HTR2A (0.44) POLQKCNH2SLC6A4HTR2AMAOB
SCHEMBL27851289 0.81 POLQ (0.43) POLQKCNH2SLC6A4HTR2AMAOB
SCHEMBL5422011 0.81 POLQ (0.47) POLQKCNH2SLC6A4HTR2AMAOB
SCHEMBL11603196 0.80 POLQ (0.48) POLQKCNH2SLC6A4HTR2ANOS3
SCHEMBL18682099 0.80 POLQ (0.37) POLQKCNH2SLC6A4HTR2ADDR1
SCHEMBL12107918 0.79 CNR1 (0.41) ARIDO1
SCHEMBL14381880 0.79 AR (0.37) SLC6A4ARNR1H2NR1H3CTSS
SCHEMBL13349970 0.79 DAO (0.51) POLQARCTSSCTSKIDO1

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-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 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-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR POLQ 1761/4885KCNH2 829/4885SLC6A4 661/4885

“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.