SCHEMBL6502440

SCHEMBL6502440

CCOC(=O)c1sc(NCCOC)nc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
GSTO1 P78417 1/20 0.63
KDM4E B2RXH2 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA1 P30542 1/20 0.61
PPARG P37231 1/20 0.61
NCOA2 Q15596 1/20 0.61
NCOA1 Q15788 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
ALDH1A1 P00352 2/20 0.60
HSD17B10 Q99714 1/20 0.60
HPGD P15428 1/20 0.58
CDC7 O00311 1/20 0.56
DBF4 Q9UBU7 1/20 0.56

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
SCHEMBL5761297 0.87 ADORA1 (0.59) DHODHMEN1KMT2ACYP1A2CYP2C9
SCHEMBL28721843 0.83 DHODH (0.77) DHODHMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3580925 0.81 KMT2A (0.78) DHODHMEN1KMT2ACYP1A2CYP2C9
SCHEMBL15064976 0.81 MEN1 (1.00) DHODHMEN1KMT2ACYP1A2CYP2C9
SCHEMBL27971291 0.81 DHODH (1.00) DHODHMEN1KMT2ACYP1A2CYP2C9
SCHEMBL23742099 0.80 DHODH (0.72) DHODHMEN1KMT2ACYP1A2CYP2C9
SCHEMBL13944335 0.79 MEN1 (0.73) DHODHMEN1KMT2ACYP1A2CYP2C9
SCHEMBL7933989 0.78 MEN1 (0.77) DHODHMEN1KMT2ACYP1A2CYP2C9
SCHEMBL14345630 0.78 DHODH (0.72) DHODHMEN1KMT2ACYP1A2CYP2C9
SCHEMBL8823153 0.78 ALDH1A1 (0.75) DHODHMEN1KMT2ACYP1A2CYP2C9

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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC DHODH 1510/4885MEN1 1456/4885KMT2A 658/4885

“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.