SCHEMBL17867987

SCHEMBL17867987

Nc1cc(Cl)ccc1-c1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALOX15 P16050 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 2/20 0.45
DPP4 P27487 2/20 0.43
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRM5 P41594 1/20 0.40
AHR P35869 1/20 0.39
SSTR2 P30874 1/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4148009 0.84 SMN1; SMN2 (0.46) TSHRCYP3A4ALDH1A1SMN1; SMN2ALOX15
SCHEMBL17868077 0.83 TAAR1 (0.47) TSHRCYP3A4ALDH1A1SMN1; SMN2ALOX15
SCHEMBL28228449 0.81 ALDH1A1 (0.44) ALDH1A1GRM5GAAKDM4EHTT
SCHEMBL14906969 0.81 ALDH1A1 (0.56) TSHRCYP3A4ALDH1A1SMN1; SMN2ALOX15
SCHEMBL31339480 0.79 AHR (0.63) TSHRCYP3A4ALDH1A1SMN1; SMN2TP53
SCHEMBL29097482 0.79 AHR (0.42) SMN1; SMN2TP53DPP4AHRSSTR2
SCHEMBL2500848 0.78 TSHR (0.45) TSHRCYP3A4ALDH1A1SMN1; SMN2ALOX15
SCHEMBL30839752 0.78 ALDH1A1 (0.65) TSHRCYP3A4ALDH1A1SMN1; SMN2ALOX15
SCHEMBL30839712 0.78 ALDH1A1 (0.65) TSHRCYP3A4ALDH1A1SMN1; SMN2ALOX15
SCHEMBL27185985 0.78 ALDH1A1 (0.65) TSHRCYP3A4ALDH1A1SMN1; SMN2ALOX15

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 6 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

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 TSHR 1871/4885CYP3A4 1971/4885ALDH1A1 689/4885

“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.