SCHEMBL4895893

SCHEMBL4895893

O=C(Nc1cc(C(F)(F)F)on1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.61
RAB9A P51151 7/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
FLT3 P36888 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.54
P2RX1 P51575 1/20 0.51
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HDAC4 P56524 1/20 0.47
KCNK3 O14649 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
SCHEMBL19879204 0.86 P2RX1 (0.56) NPC1RAB9AMEN1KMT2AFLT3
SCHEMBL11105052 0.85 FLT3 (0.78) NPC1RAB9AMEN1KMT2AFLT3
SCHEMBL13055933 0.81 P2RX1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9416804 0.79 MAPK14 (0.55) NPC1RAB9AMEN1KMT2AFLT3
SCHEMBL4903102 0.78 RAF1 (0.48) NPC1RAB9AMEN1KMT2AFLT3
SCHEMBL9416824 0.78 RAB9A (0.57) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL30788250 0.76 RAB9A (1.00) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9416888 0.76 EGFR (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8765373 0.76 CNR1 (0.48) NPC1RAB9AMEN1KMT2AFLT3
SCHEMBL13055931 0.75 RAB9A (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 6 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
EP-0220947-B1 Polyfluoroalkylisoxazolylamines, their preparation and use SHIONOGI & CO (JP) 1994-06-15 EP disclosed
US-4797492-A INTERMEDIATES FOR BACTERICIDES; HERBICIDES OR FUNGICIDES SHIONOGI & CO., LTD. (JP) 1989-01-10 US disclosed
EP-0220947-A2 Polyfluoroalkylisoxazolylamines, their preparation and use SHIONOGI & CO., LTD. (JP) 1987-05-06 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-20080132551-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNA7, CHRNA5 NPC1 2122/4885RAB9A 888/4885MEN1 3753/4885

“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.