SCHEMBL7122888

SCHEMBL7122888

CC(=O)Cn1ccsc1=N

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ ALDH1A1 P00352 8/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ KMT2A Q03164 3/20 0.47
▸ MAPT P10636 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GFER P55789 1/20 0.44
▸ RAD52 P43351 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL3886114 0.82 SMN1; SMN2 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
Bromide SCHEMBL9517907 0.81 NPC1 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL10971096 0.69 CHRNB2 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL10971100 0.69 CHRNB2 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
Bromide SCHEMBL10976430 0.67 POLB (0.32) NPC1RAB9ASMN1; SMN2POLBKDM4E
Hydrochloric Acid SCHEMBL28438337 0.64 INMT (0.41) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL21240978 0.60 ALDH1A1 (0.37) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL11964126 0.59 TSHR (0.54) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL21233122 0.59 ALDH1A1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL17962565 0.58 ALDH1A1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A

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
US-20030134848-A1 Substituted 1-aza-2-imino-heterocycles and their use as nicotinic acetylcholin receptors activators DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-07-17 — — US claimed
US-20030134848-A1 Substituted 1-aza-2-imino-heterocycles and their use as nicotinic acetylcholin receptors activators DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-07-17 — — US disclosed
EP-1185521-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS ACTIVATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS SUNTORY LIMITED (JP) 2002-03-13 — — EP disclosed
WO-2001081326-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTORS ACTIVATORS SUNTORY LIMITED (JP) 2001-11-01 — — 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-20030134848-A1 Substituted 1-aza-2-imino-heterocycles and their use as nicotinic acetylcholin receptors activators CHRNA7, CHRNA2, CHRNA1 NPC1 186/4885RAB9A 3993/4885ALDH1A1 1484/4885

“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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