SCHEMBL4682283

SCHEMBL4682283

N#CN=C(N)Nc1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.64
HTR3B O95264 2/20 0.64
HTR3A P46098 2/20 0.64
HTR3D Q70Z44 2/20 0.64
HTR3C Q8WXA8 2/20 0.64
MAPT P10636 6/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 4/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 3/20 0.50
HSD17B10 Q99714 3/20 0.50
ALOX15 P16050 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CISD1 Q9NZ45 1/20 0.50
IDO1 P14902 1/20 0.49
F13A1 P00488 1/20 0.48

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
SCHEMBL4682280 1.00 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
3-Chloroaniline SCHEMBL6612996 0.93 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
3-Chloroaniline SCHEMBL6613003 0.93 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10868021 0.83 IDO1 (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4678380 0.81 TSHR (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4678378 0.81 TSHR (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL19673745 0.81 MEN1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29560647 0.81 IDO1 (0.56) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL1983930 0.80 NPC1 (0.50) HTR3AMAPTKMT2AALDH1A1MEN1
SCHEMBL1983932 0.80 NPC1 (0.50) HTR3AMAPTKMT2AALDH1A1MEN1

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-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 HTR3E 4142/4885HTR3B 3143/4885HTR3A 2993/4885

“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.