SCHEMBL16790696

SCHEMBL16790696

CCCNc1c(F)cc(C)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.43
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAPGEF4 Q8WZA2 5/20 0.39
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
THRB P10828 1/20 0.34
CRHR1 P34998 1/20 0.34
HTT P42858 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL25650262 0.84 RAPGEF4 (0.41) TRPA1MAPTALDH1A1TDP1L3MBTL1
SCHEMBL18403913 0.81 RAPGEF4 (0.38) MAPTALDH1A1TDP1L3MBTL1RAPGEF4
SCHEMBL22996779 0.78 ALDH1A1 (0.43) MAPTALDH1A1TDP1L3MBTL1RAPGEF4
SCHEMBL14924464 0.78 NOS2 (0.41) RAPGEF4CYP2C19HTT
SCHEMBL12963494 0.77 RAPGEF4 (0.50) MAPTALDH1A1TDP1L3MBTL1RAPGEF4
SCHEMBL19121210 0.76 TRPA1 (0.44) TRPA1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL8285560 0.75 THRB (0.57) TRPA1MAPTALDH1A1TDP1L3MBTL1
SCHEMBL24348160 0.72 RAPGEF4 (0.52) RAPGEF4CYP3A4
SCHEMBL10625450 0.72 TRPA1 (0.49) TRPA1MAPTRAPGEF4CYP1A2CYP3A4
SCHEMBL1521699 0.72 RAPGEF4 (0.35) TRPA1MAPTALDH1A1RAPGEF4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150158909-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-06-11 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-20150158909-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS TRPA1 3200/4885MAPT 2328/4885ALDH1A1 1955/4885

“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.