SCHEMBL4683990

SCHEMBL4683990

N#C/N=C(/N)NCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ POLB P06746 3/20 0.46
▸ GAA P10253 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CA2 P00918 1/20 0.43

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
SCHEMBL4683993 1.00 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL10468597 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL10468368 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL9379764 0.79 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL4678075 0.78 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL4678079 0.78 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL9378441 0.76 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL9379397 0.76 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL10455929 0.76 GRIN2D (0.59) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL4678940 0.75 HDAC1 (0.46) GAAALDH1A1KDM4EMEN1KMT2A

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 SMN1; SMN2 650/4885NPC1 220/4885RAB9A 3504/4885

“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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