SCHEMBL5174355

SCHEMBL5174355

c1cncc(/N=N/c2cccnc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
HTR3A P46098 1/20 0.58
HTR3D Q70Z44 1/20 0.58
HTR3C Q8WXA8 1/20 0.58
ALDH1A1 P00352 5/20 0.50
CYP2A6 P11509 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TRPA1 O75762 1/20 0.45
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44

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
SCHEMBL3284038 1.00 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL670198 0.93 ALDH1A1 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL670197 0.93 ALDH1A1 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12669320 0.85 MEN1 (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL148825 0.85 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL148824 0.85 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL32679882 0.85 MEN1 (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14603036 0.83 ADRA2A (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5317521 0.82 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12613288 0.82 MAOA (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1787631-A1 New dye precursor combinations HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-23 EP claimed
US-10400024-B2 Cleavage and exchange of major histocompatibility complex ligands employing azobenzene-containing peptides SANQUIN REAGENTS B.V. (NL) 2019-09-03 US disclosed
US-20170101459-A1 CLEAVAGE AND EXCHANGE OF MAJOR HISTOCOMPATIBILITY COMPLEX LIGANDS EMPLOYING AZOBENZENE-CONTAINING PEPTIDES STICHTING SANQUIN BLOEDVOORZIENING (NL) 2017-04-13 US disclosed
EP-1787631-A1 New dye precursor combinations HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-23 EP 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-20170101459-A1 CLEAVAGE AND EXCHANGE OF MAJOR HISTOCOMPATIBILITY COMPLEX LIGANDS EMPLOYING AZOBENZENE-CONTAINING PEPTIDES CD74, HLA-B, MICA HTR3E 3992/4885HTR3B 2952/4885HTR3A 4169/4885
US-10400024-B2 Cleavage and exchange of major histocompatibility complex ligands employing azobenzene-containing peptides CD74, HLA-B, MICA HTR3E 3992/4885HTR3B 2952/4885HTR3A 4169/4885

“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.