SCHEMBL21083443

SCHEMBL21083443

O=C(NC1CC1)c1cnc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HRH3 Q9Y5N1 2/20 0.50
KDM5A P29375 1/20 0.48
KMT2A Q03164 2/20 0.47
EPHX1 P07099 1/20 0.47
MAPK8 P45983 1/20 0.44
SMYD3 Q9H7B4 5/20 0.42
ACKR3 P25106 1/20 0.42
LMNA P02545 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
SCHEMBL21083456 0.89 NPC1 (0.44) NPC1RAB9ATP53SMN1; SMN2HRH3
SCHEMBL23931046 0.84 HRH3 (0.54) NPC1RAB9ATP53SMN1; SMN2HRH3
SCHEMBL14820046 0.82 KDM5A (0.46) NPC1RAB9ATP53SMN1; SMN2HRH3
SCHEMBL14805822 0.80 KDM5A (0.44) NPC1RAB9ATP53SMN1; SMN2HRH3
SCHEMBL18487764 0.76 KDM5A (0.41) NPC1RAB9ATP53SMN1; SMN2HRH3
SCHEMBL21084204 0.75
SCHEMBL22372243 0.75 HRH3 (0.46) NPC1RAB9ATP53SMN1; SMN2HRH3
SCHEMBL11033825 0.74 GAA (0.51) NPC1RAB9ATP53SMN1; SMN2HRH3
SCHEMBL18912370 0.74 SMN1; SMN2 (0.40) NPC1RAB9ATP53SMN1; SMN2HRH3
SCHEMBL21268151 0.73

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101198594-A Process for the production of intermadiates for the preparation of tricyclic benzimidazoles NYCOMED GMBH (DE) 2008-06-11 CN claimed
CN-100393720-C Cyclic benzimidazoles. ALTANA PHARMA AG (DE) 2008-06-11 CN claimed
US-11466003-B2 Nitrogenous heterocyclic aromatic compound, preparation method therefor, pharmaceutical composition thereof, and application thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2022-10-11 US disclosed
US-20210300916-A1 NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2021-09-30 US disclosed
EP-3492461-A1 NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF Shanghai Yingli Pharmaceutical Co. Ltd. (CN) 2019-06-05 EP disclosed
CN-101198594-A Process for the production of intermadiates for the preparation of tricyclic benzimidazoles NYCOMED GMBH (DE) 2008-06-11 CN disclosed
CN-100393720-C Cyclic benzimidazoles. ALTANA PHARMA AG (DE) 2008-06-11 CN disclosed
CN-1764662-A Cyclic benzimidazoles. ALTANA PHARMA AG (DE) 2006-04-26 CN 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-11466003-B2 Nitrogenous heterocyclic aromatic compound, preparation method therefor, pharmaceutical composition thereof, and application thereof NOTUM, ALKBH5, PAH NPC1 541/4885RAB9A 3806/4885TP53 2272/4885
US-20210300916-A1 NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF NOTUM, ALKBH5, PAH NPC1 541/4885RAB9A 3806/4885TP53 2272/4885

“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.