SCHEMBL17868060

SCHEMBL17868060

Nc1c(-c2ccccc2)sc2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 4/20 0.51
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
HPGD P15428 2/20 0.44
CLK1 P49759 2/20 0.44
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
ADORA2A P29274 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.38
KAT2B Q92831 1/20 0.37
PIK3CA P42336 1/20 0.37
TDO2 P48775 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 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
SCHEMBL14788750 0.85 LIMK1 (0.48) LIMK1IKBKBCHUKHPGDCLK1
SCHEMBL9869589 0.79 LIMK1 (0.41) LIMK1IKBKBCHUKCLK1CDC7
SCHEMBL14710478 0.77 IKBKB (0.46) LIMK1IKBKBCHUKHPGDADORA2A
SCHEMBL10309422 0.76 LIMK1 (0.59) LIMK1IKBKBCHUKHPGDCLK1
SCHEMBL16071221 0.75 LIMK1 (0.48) LIMK1HPGDCDC7ADORA2AALDH1A1
Hydrochloric Acid SCHEMBL10277536 0.74 LIMK1 (0.57) LIMK1IKBKBCHUKHPGDCLK1
SCHEMBL16071228 0.73 LIMK1 (0.47) LIMK1IKBKBHPGDALDH1A1MAPT
SCHEMBL23317016 0.73 LIMK1 (0.56) LIMK1IKBKBCHUKHPGDCLK1
SCHEMBL16071217 0.72 LIMK1 (0.46) LIMK1HPGDCDC7ADORA2AALDH1A1
SCHEMBL28595964 0.72 LIMK1 (0.44) LIMK1IKBKBCHUKHPGDCLK1

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-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

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 LIMK1 4607/4885IKBKB 837/4885CHUK 372/4885

“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.