SCHEMBL4681736

SCHEMBL4681736

N#CN=C(N)NCc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTR3E A5X5Y0 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41
▸ HTR3C Q8WXA8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PKM P14618 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 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
SCHEMBL4681732 1.00 NPC1 (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL973284 0.79 NPC1 (0.56) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4682827 0.78 NPC1 (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4682824 0.78 NPC1 (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL10455929 0.77 GRIN2D (0.59) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL9271452 0.76 NPC1 (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9271447 0.76 NPC1 (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6982354 0.75 NPC1 (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4682899 0.74 CYP2C9 (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4682897 0.74 CYP2C9 (0.54) NPC1RAB9AMEN1KMT2AALDH1A1

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
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
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 — — 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
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 — — WO 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 NPC1 220/4885RAB9A 3504/4885MEN1 800/4885

“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.

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