SCHEMBL210929

SCHEMBL210929

O=C(O)c1ccc(CSc2nc3cc(F)c(F)cc3[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.72
EPHX2 P34913 1/20 0.72
CYP1A2 P05177 1/20 0.65
CYP2E1 P05181 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C8 P10632 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2B6 P20813 1/20 0.65
CYP2C19 P33261 1/20 0.65
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
OPRL1 P41146 5/20 0.51
ALDH1A1 P00352 3/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51

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
SCHEMBL8291917 0.91 ALOX5 (0.64) ALOX5EPHX2CYP1A2CYP2E1CYP3A4
SCHEMBL211295 0.91 ALOX5 (0.67) ALOX5EPHX2CYP1A2CYP2E1CYP3A4
SCHEMBL210356 0.82 CYP2E1 (0.74) ALOX5EPHX2CYP1A2CYP2E1CYP3A4
SCHEMBL210572 0.82 ALOX5 (0.61) ALOX5EPHX2CYP1A2CYP2E1CYP3A4
SCHEMBL10691877 0.81 ALDH1A1 (0.75) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL212876 0.80 HDAC1 (0.78) ALOX5MAPTALDH1A1HDAC1HDAC3
SCHEMBL1065421 0.79 CYP2E1 (0.83) ALOX5EPHX2CYP1A2CYP2E1CYP3A4
SCHEMBL2734131 0.79 CYP2E1 (1.00) ALOX5CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL212212 0.78 MAPT (0.56) ALOX5EPHX2CYP1A2CYP2E1CYP3A4
SCHEMBL12963080 0.75 OPRL1 (0.48) ALOX5EPHX2CYP1A2CYP2E1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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 (2 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ALOX5 3601/4885EPHX2 3444/4885CYP1A2 4230/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 ALOX5 3075/4885EPHX2 3151/4885CYP1A2 4311/4885

“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.