SCHEMBL15280202

SCHEMBL15280202

Cc1ccc(C(F)(F)I)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PDK2 Q15119 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.33
PDE2A O00408 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRB2 P47870 1/20 0.33
AR P10275 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL1043249 0.83 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ATP53MAPTPDK2
SCHEMBL25908563 0.81 PDK2 (0.39) SMN1; SMN2RAB9ATP53MAPTPDK2
SCHEMBL21995414 0.79 CYP3A4 (0.39) SMN1; SMN2RAB9ATP53MAPTPDK2
SCHEMBL25910597 0.78 TDP1 (0.39) SMN1; SMN2TP53MAPTTDP1RAPGEF4
SCHEMBL803011 0.76 ALDH1A1 (0.39) SMN1; SMN2TP53MAPTPDK2PDK1
SCHEMBL5380073 0.76 TDP1 (0.60) SMN1; SMN2RAB9ATP53MAPTCYP3A4
SCHEMBL29005375 0.75 SMN1; SMN2 (0.36) SMN1; SMN2RAB9ATP53MAPTPDK2
SCHEMBL19708930 0.72 PDK1 (0.39) SMN1; SMN2RAB9ATP53MAPTPDK2
SCHEMBL16579353 0.72 TDP1 (0.35) SMN1; SMN2RAB9ATP53MAPTPDK2
Hydrochloric Acid SCHEMBL31409935 0.71 TDP1 (0.34) SMN1; SMN2RAB9ATP53MAPTPDK2

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-20230234925-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-07-27 US disclosed
WO-2013137479-A1 DECAHYDROQUINOXALINE DERIVATIVES AND ANALOGS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-09-19 WO 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-20230234925-A1 GPR52 MODULATORS AND METHODS OF USE GPR52, GPR68, GPR35 SMN1; SMN2 696/4885RAB9A 2346/4885TP53 4535/4885

“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.