SCHEMBL9054530

SCHEMBL9054530

CCCSC(=O)Nc1cc2c3c(c1)[C@H](c1ccc(C(F)(F)F)cc1)CCN3CC[C@H]2c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.42
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36

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
SCHEMBL8989588 0.96 EPHX2 (0.39) EPHX2UBE2MDCUN1D1
SCHEMBL17054426 0.94 EPHX2 (0.38) EPHX2MEN1KMT2AUBE2MDCUN1D1
SCHEMBL8990027 0.88 ALDH1A1 (0.36) EPHX2
SCHEMBL9054538 0.87 EPHX2 (0.39) EPHX2MEN1KMT2A
SCHEMBL8988951 0.87 ALDH1A1 (0.44) EPHX2MEN1KMT2A
SCHEMBL8989586 0.83 PAX8 (0.41) EPHX2
SCHEMBL8989656 0.80 TRPM8 (0.41) EPHX2
SCHEMBL13619993 0.78 RIPK1 (0.38) EPHX2
SCHEMBL8990143 0.77 TRPM8 (0.40) EPHX2
SCHEMBL9055340 0.75 ALDH1A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2294069-B1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO[3,2,1-IJ]QUINOLINE COMPOUNDS ALLERGAN INC (US) 2015-09-02 EP disclosed
US-8431702-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2013-04-30 US disclosed
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2012-12-06 US disclosed
US-8309729-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-11-13 US disclosed
US-20120214838-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2012-08-23 US disclosed
US-8188279-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-05-29 US disclosed
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2011-09-29 US disclosed
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2010-01-14 US disclosed
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2010-01-14 US disclosed
WO-2009137681-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-IJ] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2009-11-12 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 (4 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-20120214838-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 EPHX2 2635/4885MEN1 2028/4885KMT2A 2180/4885
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 EPHX2 2635/4885MEN1 2028/4885KMT2A 2180/4885
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 EPHX2 2635/4885MEN1 2028/4885KMT2A 2180/4885
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 EPHX2 2635/4885MEN1 2028/4885KMT2A 2180/4885

“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.