SCHEMBL3550579

SCHEMBL3550579

COc1c([N+](=O)[O-])ccc(Cl)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.47
▸ ALDH1A1 P00352 5/20 0.40
▸ TSHR P16473 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TXNRD1 Q16881 1/20 0.40
▸ TXNRD3 Q86VQ6 1/20 0.40
▸ TXNRD2 Q9NNW7 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ NOTUM Q6P988 2/20 0.39
▸ TTR P02766 1/20 0.38

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
SCHEMBL13721530 0.80 TDP1 (0.57) TDP1ALDH1A1TSHRHPGDMAPT
SCHEMBL9799821 0.80 TDP1 (0.62) TDP1ALDH1A1TSHRHPGDMAPT
SCHEMBL19783654 0.79 TDP1 (0.52) TDP1ALDH1A1TSHRHPGDMAPT
SCHEMBL3309493 0.79 TDP1 (0.47) TDP1ALDH1A1TSHRHPGDCYP3A4
SCHEMBL6576154 0.77 TDP1 (0.53) TDP1ALDH1A1TSHRHPGDCYP3A4
SCHEMBL3294774 0.77 TDP1 (0.48) TDP1ALDH1A1TSHRHPGDCYP3A4
SCHEMBL29449833 0.77 TDP1 (0.48) TDP1ALDH1A1TSHRHPGDCYP3A4
SCHEMBL29091577 0.76 TDP1 (0.47) TDP1ALDH1A1TSHRHPGDMAPT
SCHEMBL3550072 0.76 TDP1 (0.47) TDP1ALDH1A1TSHRHPGDCYP3A4
SCHEMBL9871485 0.76 TDP1 (0.47) TDP1ALDH1A1TSHRHPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 — — US disclosed
EP-1856053-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-21 — — EP disclosed
WO-2006076706-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 — — WO disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 — — 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-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MAP3K21, HIPK4, MAP3K20 TDP1 2815/4885ALDH1A1 2863/4885TSHR 4724/4885

“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.

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