SCHEMBL13545684

SCHEMBL13545684

C/C(=C\C(=O)N(C)C)c1ccc(-c2ccccc2F)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
MLNR O43193 1/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
FFAR2 O15552 1/20 0.39
DHODH Q02127 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
WNT3A P56704 3/20 0.38
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL3620646 0.93 LTB4R (0.40) LTB4RLTB4R2MLNRNPC1ALDH1A1
Trifluoroacetic Acid SCHEMBL3620650 0.93 LTB4R (0.40) LTB4RLTB4R2MLNRNPC1ALDH1A1
SCHEMBL8164613 0.81 NPC1 (0.40) MLNRNPC1ALDH1A1MAPTRAB9A
SCHEMBL3603831 0.79 CYP11B1 (0.43) MLNRNPC1RAB9ADHODHCYP11B1
SCHEMBL3603828 0.79 CYP11B1 (0.43) MLNRNPC1RAB9ADHODHCYP11B1
SCHEMBL2070102 0.75 LDHA (0.62) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL29596848 0.73 MAPK1 (0.51) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL2072004 0.70 FFAR2 (0.43) MLNRNPC1ALDH1A1MAPTRAB9A
SCHEMBL1543152 0.69 KDM4E (0.60) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL4677660 0.68 NPC1 (0.46) MLNRNPC1RAB9AFFAR2CYP11B1

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-8304438-B2 Heteroarylacrylamides and their use as pharmaceuticals SANOFI (FR) 2012-11-06 US disclosed
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 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-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS NOS3, PTGIS, NOS1 LTB4R 102/4885LTB4R2 181/4885MLNR 1082/4885

“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.