SCHEMBL5491795

SCHEMBL5491795

COc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.88

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 11/20 0.88
KCNK3 O14649 4/20 0.74
KCNK9 Q9NPC2 4/20 0.74
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
MAPT P10636 1/20 0.69
CYP2C19 P33261 1/20 0.69
MAPK1 P28482 1/20 0.67
P2RX1 P51575 1/20 0.67
POLB P06746 1/20 0.66
KMT2A Q03164 1/20 0.66
PTGS1 P23219 1/20 0.66

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
SCHEMBL15528928 0.94 RXFP1 (1.00) RXFP1
SCHEMBL15528441 0.94 RXFP1 (0.79) RXFP1KCNK3KCNK9CYP1A2CYP3A4
SCHEMBL15528979 0.93 RXFP1 (0.78) RXFP1KCNK3KCNK9CYP1A2CYP3A4
SCHEMBL15530591 0.89 RXFP1 (0.72) RXFP1KCNK3KCNK9CYP1A2CYP3A4
SCHEMBL15529016 0.88 RXFP1 (1.00) RXFP1
SCHEMBL2699662 0.87 RXFP1 (0.69) RXFP1CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL15528909 0.87 RXFP1 (1.00) RXFP1
SCHEMBL28037920 0.87 RXFP1 (0.69) RXFP1CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL15529040 0.87 RXFP1 (0.69) RXFP1KCNK3KCNK9CYP1A2CYP3A4
SCHEMBL15529586 0.87 RXFP1 (0.90) RXFP1KCNK3KCNK9CYP1A2CYP3A4

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
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP claimed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO claimed
US-20130109698-A1 Small Molecule Inhibitors of Functions of the HIV-1 Matrix Protein DREXEL UNIVERSITY 2013-05-02 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-20130109698-A1 Small Molecule Inhibitors of Functions of the HIV-1 Matrix Protein SERPINB1, TIMP3, MIF RXFP1 3707/4885KCNK3 4665/4885KCNK9 4779/4885

“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.