SCHEMBL1888032

SCHEMBL1888032

O=C(NC1CCCCC1)C(c1cccs1)N(C(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPT P10636 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ THRB P10828 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ PRNP P04156 1/20 0.48
▸ POLB P06746 1/20 0.47

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
SCHEMBL12672203 0.91 MAPT (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12639366 0.89 ALDH1A1 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15189209 0.89 MAPT (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12672209 0.89 TDP1 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1568589 0.89 MAPT (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1886459 0.88 MAPT (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12672326 0.88 MAPT (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1886649 0.88 MAPT (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14788456 0.88 ALDH1A1 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1904088 0.88 MAPT (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519188-B2 Compounds which can be used for the treatment of cancers Marc-Henry Pitty (FR) 2013-08-27 — — US disclosed
EP-2307017-B1 COMPOUNDS WHICH CAN BE USED FOR THE TREATMENT OF CANCERS PITTY MARC HENRY (FR) 2013-08-14 — — EP disclosed
US-20110104162-A1 Compounds which can be used for the Treatment of Cancers CYTOMICS SYSTEMS (FR) 2011-05-05 — — 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-20110104162-A1 Compounds which can be used for the Treatment of Cancers VHL, CYP11B2, SLC10A1 CYP1A2 91/4885CYP3A4 133/4885CYP2D6 59/4885

“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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