SCHEMBL3055800

SCHEMBL3055800

[C]1CN2C(=N1)Sc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
MAOA P21397 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.35
BCHE P06276 7/20 0.35
NOX1 Q9Y5S8 2/20 0.33
ACHE P22303 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM1A O60341 3/20 0.32

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
SCHEMBL3055798 0.70 NPC1 (0.53) NPC1MAOAMEN1KMT2AALDH1A1
SCHEMBL3511564 0.69 IDO1 (0.63) NPC1MAOAMEN1KMT2ABCHE
SCHEMBL2714532 0.67 IDO1 (0.51) NPC1MEN1KMT2AALDH1A1RAB9A
SCHEMBL11205812 0.67 NPC1 (0.45) NPC1MAOAMEN1KMT2AALDH1A1
SCHEMBL7379095 0.67 NPC1 (0.45) NPC1MAOAMEN1KMT2AALDH1A1
SCHEMBL30841489 0.67 IDO1 (0.51) NPC1MEN1KMT2AALDH1A1RAB9A
SCHEMBL3504625 0.67 NPC1 (0.45) NPC1MAOAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11189563 0.66 NPC1 (0.44) NPC1MAOAMEN1KMT2AALDH1A1
SCHEMBL10029025 0.66 NPC1 (0.63) NPC1MAOAMEN1KMT2ABCHE
SCHEMBL10029022 0.66 NPC1 (0.63) NPC1MAOAMEN1KMT2ABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US claimed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP claimed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 WO claimed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 NPC1 2460/4885MAOA 208/4885MEN1 275/4885

“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.