SCHEMBL16098652

SCHEMBL16098652

C=CCc1cc(Cl)cc(N)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
MAP4K4 O95819 2/20 0.34
PIM1 P11309 2/20 0.34
CLK2 P49760 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
AKR1B1 P15121 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
MET P08581 1/20 0.34
LTK P29376 1/20 0.34
KDR P35968 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
SCHEMBL27921111 0.78 GABRA1 (0.42) GABRA1GABRB2MEN1ALDH1A1ALOX15
SCHEMBL16098867 0.75 PDE7A (0.40) PTGDRPTGDR2GABRA1GABRB2ALDH1A1
SCHEMBL17924772 0.74 GABRA1 (0.40) GABRA1GABRB2MEN1ALDH1A1ALOX15
SCHEMBL10410817 0.73 ALDH1A1 (0.33) GABRA1GABRB2MEN1ALDH1A1ALOX15
SCHEMBL671144 0.73 PTGDR (0.40) PTGDRPTGDR2GABRA1GABRB2MEN1
SCHEMBL28193331 0.72 AURKA (0.38) GABRA1GABRB2MEN1ALDH1A1ALOX15
SCHEMBL21546530 0.72 PTGDR (0.47) PTGDRPTGDR2GABRA1GABRB2MEN1
SCHEMBL7042258 0.71 CYP3A4 (0.44) PTGDRPTGDR2GABRA1GABRB2ALDH1A1
SCHEMBL7037293 0.71 GABRA1 (0.38) GABRA1GABRB2MEN1KMT2AMAP4K4
SCHEMBL7556444 0.71 GABRA1 (0.48) GABRA1GABRB2MEN1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708340-B2 Urea derivatives and their use as fatty-acid binding protein (FABP) inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US disclosed
US-9708340-B2 Urea derivatives and their use as fatty-acid binding protein (FABP) inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US disclosed
US-9708340-B2 Urea derivatives and their use as fatty-acid binding protein (FABP) inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US disclosed
US-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-06-30 US disclosed
US-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-06-30 US disclosed
US-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-06-30 US disclosed
WO-2014146994-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 WO disclosed
WO-2014146994-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 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-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS FABP1, FABP5, FABP2 PTGDR 2553/4885PTGDR2 2753/4885GABRA1 2318/4885

“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.