SCHEMBL4893220

SCHEMBL4893220

OC(O)(Cc1noc(-c2ccccc2)n1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.59
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
PKM P14618 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
NR1H4 Q96RI1 2/20 0.46
HDAC6 Q9UBN7 3/20 0.45
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.42
FFAR1 O14842 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40

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
SCHEMBL10103644 0.78 NOTUM (0.62) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27628551 0.76 NOTUM (0.60) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4865565 0.75 NOTUM (1.00) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23698059 0.74 MGLL (0.51) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3614850 0.74 NOTUM (0.56) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21776935 0.73 NOTUM (0.70) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1609094 0.73 NOTUM (0.55) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9005927 0.72 NOTUM (0.74) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL120396 0.72 NOTUM (0.68) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7254229 0.72 NOTUM (0.68) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1

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 NOTUM 2556/4885NPC1 2122/4885RAB9A 888/4885

“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.