SCHEMBL4119040

SCHEMBL4119040

Nc1ccc(Cl)cc1C(O)c1ccccc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.39
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
GRIN2B Q13224 1/20 0.34
CYP3A4 P08684 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PNLIP P16233 1/20 0.34
ANO1 Q5XXA6 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CNR2 P34972 1/20 0.33
AVPR2 P30518 1/20 0.33
GPR27 Q9NS67 1/20 0.33
P2RX1 P51575 1/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL4111638 0.90 MAP2 (0.35) MAP2KCNK3KCNK9GRIN2BCYP3A4
SCHEMBL4119685 0.85 FDFT1 (0.37) MAP2KCNK3KCNK9P2RX1ALDH1A1
SCHEMBL4122138 0.83 TDP1 (0.42) CYP3A4CYP1A2CYP2C9CYP2C19CNR2
SCHEMBL4131102 0.83 FDFT1 (0.37) KCNK3KCNK9ALDH1A1
SCHEMBL28709564 0.81 KCNK3 (0.42) KCNK3KCNK9GRIN2BALDH1A1
SCHEMBL6958117 0.80 ALDH1A1 (0.46) CYP1A2CYP2C19TSHRALDH1A1ALOX15
SCHEMBL3250763 0.79 CNR2 (0.41) CYP3A4CNR2RECQLTSHRALDH1A1
SCHEMBL4131717 0.78 LPAR1 (0.41) MAP2KCNK3KCNK9CYP1A2CYP2C19
SCHEMBL3261755 0.77 SMN1; SMN2 (0.38) CYP3A4CNR2RECQLTSHRALDH1A1
SCHEMBL6953529 0.76 SGMS2 (0.46) ALDH1A1

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-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR MAP2 4631/4885KCNK3 4151/4885KCNK9 4114/4885

“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.