SCHEMBL3200138

SCHEMBL3200138

NCc1cccc(CNC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.61
EGFR P00533 3/20 0.54
EPHX2 P34913 3/20 0.50
NR1H4 Q96RI1 2/20 0.50
PPARG P37231 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
AOC3 Q16853 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
SENP1 Q9P0U3 1/20 0.47
ROCK2 O75116 1/20 0.46

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
SCHEMBL3218315 0.83 HDAC1 (0.53) EGFREPHX2NR1H4PPARGSMN1; SMN2
SCHEMBL13423683 0.81 MMP13 (0.72) EGFREPHX2NR1H4SMN1; SMN2HDAC3
SCHEMBL13423684 0.81 HTT (0.61) PPARGSMN1; SMN2ROCK2RPS6KA5MAP4K4
SCHEMBL27659355 0.80 CFD (0.82) CFDEGFREPHX2NR1H4PPARG
SCHEMBL15556675 0.79 KLKB1 (0.58) EGFREPHX2NR1H4PPARGHDAC3
SCHEMBL3224598 0.79 ALDH1A1 (0.51) SMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL13423690 0.79 GRIN1 (0.54) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4928443 0.79 CFD (0.74) CFDNR1H4PPARGHDAC1HDAC2
SCHEMBL4925434 0.77 CFD (0.62) CFDNR1H4PPARGHDAC3HDAC1
SCHEMBL1926186 0.76 EPHX2 (0.67) EGFREPHX2NR1H4SMN1; SMN2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B CFD 4871/4885EGFR 3486/4885EPHX2 3494/4885

“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.