SCHEMBL6760822

SCHEMBL6760822

COC(=O)c1[nH]c2ccc(N)cc2c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HPGD P15428 3/20 0.58
CYP1A2 P05177 1/20 0.58
XBP1 P17861 1/20 0.58
CYP2C19 P33261 1/20 0.58
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 4/20 0.54
HTT P42858 1/20 0.54
GFER P55789 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAP2 P11137 5/20 0.52
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
POLB P06746 1/20 0.49
CA12 O43570 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49

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
SCHEMBL20569774 0.86 NR4A2 (0.58) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL6614826 0.85 ALDH1A1 (0.69) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL2735786 0.84 MAP2 (0.70) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL18092621 0.81 CA1 (0.58) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL4929236 0.81 ALDH1A1 (0.57) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL18092632 0.80 MAPT (0.76) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL5161760 0.80 ALDH1A1 (0.60) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL4926259 0.79 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL13684477 0.79 ALDH1A1 (0.57) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL4930105 0.78 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2AKDM4E

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-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

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 ALDH1A1 2558/4885HPGD 830/4885CYP1A2 234/4885

“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.