SCHEMBL20657441

SCHEMBL20657441

COc1cccc(/N=C(\C)C(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.60
HTR3B O95264 1/20 0.60
HTR3A P46098 1/20 0.60
HTR3D Q70Z44 1/20 0.60
HTR3C Q8WXA8 1/20 0.60
TAAR1 Q96RJ0 1/20 0.58
SIGMAR1 Q99720 1/20 0.51
NOS1 P29475 3/20 0.50
NOS3 P29474 2/20 0.50
NOS2 P35228 2/20 0.50
IDO1 P14902 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CRHR1 P34998 3/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL19148202 1.00 HTR3E (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20657440 0.83 MPI (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL19148232 0.83 MPI (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20657421 0.79 NOS3 (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL19149172 0.79 NOS3 (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20657429 0.77 NOS1 (0.44) NOS1NOS2IDO1NPC1RAB9A
SCHEMBL19148969 0.77 NOS1 (0.44) NOS1NOS2IDO1NPC1RAB9A
SCHEMBL19148200 0.77 HTR3E (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20657397 0.77 HTR3E (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20657504 0.76 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C

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-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-23 US disclosed
US-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 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 (2 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-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES KCNQ1, KCNQ2, KCNQ4 HTR3E 1006/4885HTR3B 571/4885HTR3A 965/4885
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines KCNQ1, KCNQ2, KCNQ4 HTR3E 1006/4885HTR3B 571/4885HTR3A 965/4885

“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.