SCHEMBL3389830

SCHEMBL3389830

N=C(N)N(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CETP P11597 1/20 0.42
CES2 O00748 1/20 0.42
MGLL Q99685 1/20 0.42
PNMT P11086 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KIF11 P52732 2/20 0.39
IDO1 P14902 2/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL8332599 0.91 CETP (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9117964 0.82 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5606524 0.82 CES2 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8748156 0.82 ALDH1A1 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8400924 0.81 HTR2C (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11578705 0.80 CES2 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28217598 0.78 PTGIR (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8397630 0.77 SIGMAR1 (0.50) CETP
SCHEMBL10869147 0.77 CES2 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2575833 0.76 CES2 (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010048164-A2 N,N'-DI-P-BROMOPHENYL GUANIDINE TREATMENT FOR STROKE AT DELAYED TIMEPOINTS UNIVERSITY OF SOUTH FLORIDA (US) 2010-04-29 WO claimed
EP-1091942-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2001-04-18 EP claimed
WO-2000001676-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2000-01-13 WO claimed
US-20020049246-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-04-25 US disclosed
EP-1091942-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2001-04-18 EP disclosed
WO-2000001676-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2000-01-13 WO 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-20020049246-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 HTR3E 1330/4885HTR3B 639/4885HTR3A 908/4885

“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.