SCHEMBL3865052

SCHEMBL3865052

O=C(CCl)Nc1cc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TEAD1 P28347 1/20 0.47
YAP1 P46937 1/20 0.47
TEAD4 Q15561 1/20 0.47
TEAD2 Q15562 1/20 0.47
FLT3 P36888 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL3871617 0.85 TAS1R3 (0.49) TAS1R3TAS1R1FLT3NPC1RAB9A
SCHEMBL3867380 0.84 TAS1R3 (0.51) TAS1R3TAS1R1FLT3NPC1RAB9A
SCHEMBL10823736 0.80 NPC1 (0.54) FLT3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL13652067 0.78 SMN1; SMN2 (0.64) TAS1R3TAS1R1FLT3NPC1RAB9A
SCHEMBL1826293 0.78 FLT3 (0.55) TAS1R3TAS1R1FLT3NPC1RAB9A
SCHEMBL3800547 0.77 NPC1 (0.51) FLT3NPC1RAB9ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL3794175 0.75 NPC1 (0.50) FLT3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1059656 0.75 NPC1 (0.66) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL5613922 0.75 HPGD (0.53) FLT3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL7699924 0.75 FLT3 (0.48) TAS1R3TAS1R1FLT3NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601856-B2 Benzofurans as potassium ion channel modulators WYETH (US) 2009-10-13 US disclosed
US-20080027049-A1 Such as 2,2-Dimethyl-N-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-propionamide WYETH (US) 2008-01-31 US 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-20080027049-A1 Such as 2,2-Dimethyl-N-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-propionamide KCNJ2, KCNJ5, KCNA5 TAS1R3 2309/4885TAS1R1 2491/4885TEAD1 2892/4885

“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.