SCHEMBL3598418

SCHEMBL3598418

C(=NC1CCNC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.46
BACE1 P56817 10/20 0.46
BCHE P06276 7/20 0.44
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC18A3 Q16572 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL3598416 1.00 ACHE (0.46) ACHEBACE1BCHELMNAL3MBTL1
SCHEMBL3597522 0.90 ACHE (0.44) ACHEBACE1BCHELMNAL3MBTL1
SCHEMBL23700119 0.90 ACHE (0.44) ACHEBACE1BCHELMNAL3MBTL1
SCHEMBL23700118 0.90 ACHE (0.44) ACHEBACE1BCHELMNAL3MBTL1
SCHEMBL3597520 0.90 ACHE (0.44) ACHEBACE1BCHELMNAL3MBTL1
SCHEMBL3598197 0.89 BACE1 (0.53) ACHEBACE1BCHELMNAL3MBTL1
SCHEMBL3598195 0.89 BACE1 (0.53) ACHEBACE1BCHELMNAL3MBTL1
SCHEMBL2144440 0.88 KMT2A (0.46) ACHEBACE1BCHELMNAKMT2A
SCHEMBL19713578 0.88 KMT2A (0.46) ACHEBACE1BCHELMNAKMT2A
SCHEMBL19713577 0.88 KMT2A (0.46) ACHEBACE1BCHELMNAKMT2A

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-8507528-B2 2-alkyl-indazole compounds for the treatment of certain cns-related disorders AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2013-08-13 US disclosed
EP-2099780-B1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS ACRAF (IT) 2013-01-09 EP disclosed
US-20100056573-A1 2-ALKYL-INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2010-03-04 US disclosed
EP-2099780-A1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2009-09-16 EP disclosed
WO-2008061688-A1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2008-05-29 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-20100056573-A1 2-ALKYL-INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS CYP11B2, CYP1A2, INA ACHE 621/4885BACE1 1164/4885BCHE 673/4885

“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.