SCHEMBL6602520

SCHEMBL6602520

Nc1ccc2sc(C(=O)NCCN3CCOCC3)cc2c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.72
CA2 P00918 2/20 0.59
CD274 Q9NZQ7 2/20 0.57
MMP12 P39900 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP2D6 P10635 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
ACKR3 P25106 1/20 0.48
CHRNA7 P36544 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL6601820 0.90 LMNA (0.58) LMNACA2MEN1KMT2AACKR3
SCHEMBL6606228 0.84 LMNA (1.00) LMNACA2CD274ALDH1A1CYP2C19
SCHEMBL18845433 0.79 CYP2C19 (0.78) CD274ALDH1A1CYP2D6CYP1A2CYP2C19
SCHEMBL29233624 0.78 MMP2 (0.63) LMNACA2MMP12ALDH1A1CYP2D6
SCHEMBL13557623 0.77 MMP13 (0.64) CD274ALDH1A1CYP2D6CYP1A2CYP2C19
SCHEMBL9760978 0.76 CD274 (0.64) LMNACD274ALDH1A1CYP2C19MEN1
SCHEMBL1886668 0.76 HDAC1 (0.60) LMNACA2CD274ALDH1A1MEN1
SCHEMBL277558 0.76 MEN1 (0.64) LMNACA2CD274MMP12ALDH1A1
SCHEMBL6231088 0.76 L3MBTL1 (0.69) ALDH1A1CYP1A2CYP2C19NPSR1L3MBTL1
SCHEMBL3543817 0.76 CD274 (0.92) CD274ALDH1A1CYP2D6CYP1A2CYP2C19

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
US-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins PIERRE FABRE MEDICAMENT (FR) 2004-10-14 US disclosed
EP-1395581-A2 NOVEL BENZOTHIENYL OR INDOLE DERIVATIVES, PREPARATION AND USE THEREOF AS INHIBITORS OF PRENYL TRANSFERASE PROTEINS PIERRE FABRE MEDICAMENT (FR) 2004-03-10 EP disclosed
WO-2002098852-A2 NOVEL BENZOTHIENYL OR INDOLE DERIVATIVES, AND USE THEREOF AS INHIBITORS OF PRENYL TRANSFERASE PROTEINS PIERRE FABRE MEDICAMENT (FR) 2002-12-12 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-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins CBR1, CBR3, HCCS LMNA 2717/4885CA2 2795/4885CD274 4735/4885

“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.