SCHEMBL2740501

SCHEMBL2740501

Cc1ccccc1C(=O)N1CCN(C(=O)CC(=O)Nc2ccc(Nc3ccccc3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
USP2 O75604 1/20 0.61
TSHR P16473 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
HSD17B10 Q99714 1/20 0.61
HTT P42858 4/20 0.59
LMNA P02545 3/20 0.59
PKM P14618 1/20 0.53
POLB P06746 3/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR2B P41595 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
SCHEMBL221711 0.91 MAPT (0.61) MAPTUSP2TSHRCASP1CASP7
SCHEMBL2740497 0.85 MAPT (0.58) MAPTUSP2TSHRCASP1CASP7
SCHEMBL2740478 0.85 POLB (0.53) MAPTUSP2TSHRCASP1CASP7
SCHEMBL2740498 0.84 MAPT (0.72) MAPTUSP2TSHRCASP1CASP7
SCHEMBL226289 0.83 SCD (0.54) MAPTALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL2740499 0.82 MAPT (0.52) MAPTUSP2TSHRCASP1CASP7
SCHEMBL2740472 0.81 HTT (0.67) MAPTUSP2TSHRCASP1CASP7
SCHEMBL2740479 0.80 MAPT (0.53) MAPTUSP2TSHRCASP1CASP7
SCHEMBL2740487 0.79 MAPT (0.52) MAPTUSP2TSHRCASP1CASP7
SCHEMBL2740491 0.78 MAPT (0.48) MAPTUSP2TSHRCASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-01-05 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-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 MAPT 3595/4885USP2 1123/4885TSHR 4601/4885

“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.