SCHEMBL4903102

SCHEMBL4903102

O=C(Nc1cc(C(F)(F)F)on1)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.48
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
FAAH O00519 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
RAD51 Q06609 1/20 0.41
MAOB P27338 1/20 0.41
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL1015499 0.89 RAF1 (0.52) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1015351 0.87 RAF1 (0.50) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL769541 0.86 RAF1 (0.64) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11966207 0.84 RAF1 (0.47) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL770136 0.84 RAF1 (0.46) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1011493 0.83 RAF1 (0.49) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL770045 0.82 RAF1 (0.50) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL769245 0.82 RAF1 (0.50) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11293751 0.82 RAF1 (0.50) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL17732309 0.81 RAF1 (0.49) RAF1MAPK13MAPK12MAPK11MAPK14

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-20080132551-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2008-06-05 US disclosed
EP-1611128-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR Pharmacia & Upjohn Company LLC (US) 2006-01-04 EP disclosed
WO-2004085433-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY LLC (US) 2004-10-07 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 (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-20080132551-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNA7, CHRNA5 RAF1 3750/4885MAPK13 2457/4885MAPK12 1468/4885

“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.