SCHEMBL4568352

SCHEMBL4568352

Cc1ccc(C2CC2)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
DGAT1 O75907 2/20 0.43
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 1/20 0.38
ADRA1A P35348 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NLRP3 Q96P20 1/20 0.38
SSTR4 P31391 1/20 0.38

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
SCHEMBL9610075 0.82 DGAT1 (0.42) DGAT1HTT
SCHEMBL30118378 0.82 AAK1 (0.51) DGAT1HDAC3HDAC1HDAC2
SCHEMBL5868762 0.82 AAK1 (0.51) DGAT1HDAC3HDAC1HDAC2
SCHEMBL3713654 0.81 HDAC1 (0.44) HDAC3HDAC1HDAC2ALDH1A1DRD2
SCHEMBL4568018 0.81 NLRP3 (0.55) LMNANPSR1CYP1A2POLBCYP3A4
SCHEMBL5868887 0.78 NPC1 (0.42) NPSR1POLBALDH1A1HTTMEN1
SCHEMBL4568356 0.78 DGAT1 (0.36) LMNANPSR1DGAT1HDAC3HDAC1
SCHEMBL28757745 0.78 HDAC1 (0.46) POLBHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL31470226 0.78 CYP3A4 (0.45) LMNANPSR1CYP1A2POLBCYP3A4
SCHEMBL20865561 0.78 ALDH1A1 (0.56) LMNANPSR1CYP1A2POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R LMNA 4472/4885NPSR1 27/4885CYP1A2 1792/4885

“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.