SCHEMBL17813809

SCHEMBL17813809

Cc1cc(C(F)(F)F)c(-c2ccc(F)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
TRPA1 O75762 2/20 0.41
PDE3B Q13370 5/20 0.41
PDE3A Q14432 5/20 0.41
TDO2 P48775 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
POLQ O75417 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 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
SCHEMBL16454400 0.85 KDM4E (0.46) PDE3BPDE3AKDM4EMEN1NPC1
SCHEMBL22795814 0.84 PDE3B (0.51) PDE3BPDE3ATDO2SLC22A12IDO1
SCHEMBL16455583 0.84 MAPT (0.46) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL16455742 0.82 CYP11B2 (0.48) TRPA1PDE3BPDE3APOLQSLC22A12
SCHEMBL17808244 0.82 IDO1 (0.44) POLBTRPA1PDE3BPDE3AKDM4E
SCHEMBL16454402 0.81 CYP11B2 (0.50) POLQSLC22A12L3MBTL1CYP11B2
SCHEMBL17813811 0.80 TDO2 (0.43) POLBPDE3BPDE3ATDO2KDM4E
SCHEMBL16455584 0.80 PDE3B (0.43) TRPA1PDE3BPDE3ATDO2ALOX5AP
SCHEMBL16455708 0.80 PTGS2 (0.58) IDO1PTGS2
SCHEMBL17813815 0.79 PDE3B (0.39) TRPA1PDE3BPDE3AALOX5APFEN1

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-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-20160159767-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 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-20160159767-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 POLB 1307/4885TRPA1 3405/4885PDE3B 698/4885

“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.