SCHEMBL3811033

SCHEMBL3811033

CNc1cc(F)ccc1C(=O)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.45
ATM Q13315 1/20 0.43
PDE10A Q9Y233 1/20 0.40
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
IKBKB O14920 1/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CLCN2 P51788 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ACKR3 P25106 1/20 0.37
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36

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
SCHEMBL9722931 0.80 CES2 (0.44) HTTCES2CES1IKBKBCLCN2
SCHEMBL3810854 0.80 CLCN2 (0.52) KMT2ACES2CES1IKBKBALDH1A1
SCHEMBL3811178 0.79 ALDH1A1 (0.51) KMT2AHTTNPC1ALDH1A1KDM4E
SCHEMBL642910 0.78 CES2 (0.61) KMT2AHTTNPC1ATMCES2
SCHEMBL9744146 0.77 KDM4E (0.58) NPC1ATMALDH1A1KDM4EMAPT
SCHEMBL27731731 0.76 HSP90AB1 (0.43) KMT2AHTTCES2CES1IKBKB
SCHEMBL9722911 0.76 IKBKB (0.38) KMT2AHTTCES2CES1IKBKB
SCHEMBL30612342 0.75 ALDH1A1 (0.46) KMT2AHTTNPC1ATMCES2
SCHEMBL3811988 0.75 KEAP1 (0.47) KMT2AHTTNPC1ATMCES2
SCHEMBL30032063 0.75 NPC1 (0.61) KMT2AHTTNPC1CES2CES1

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-7524855-B2 Selected benzofuran derivatives ARPIDA AG (CH) 2009-04-28 US disclosed
US-20080108610-A1 Selected Benzofuran Derivatives ARPIDA AG (CH) 2008-05-08 US disclosed
EP-1838704-A1 SELECTED BENZOFURAN DERIVATIVES Arpida AG (CH) 2007-10-03 EP disclosed
WO-2006072370-A1 SELECTED BENZOFURAN DERIVATIVES ARPIDA AG (CH) 2006-07-13 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-20080108610-A1 Selected Benzofuran Derivatives ABCG2, BPTF, SBDS KMT2A 3464/4885HTT 2085/4885NPC1 1404/4885

“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.