SCHEMBL3598197

SCHEMBL3598197

C(=NC1CCNCC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.53
ACHE P22303 12/20 0.53
BCHE P06276 9/20 0.46
KMT2A Q03164 1/20 0.44
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH1 P35367 1/20 0.40
GBA1 P04062 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3598195 1.00 BACE1 (0.53) BACE1ACHEBCHEKMT2ASLC18A3
SCHEMBL3598418 0.89 ACHE (0.46) BACE1ACHEBCHEKMT2ASLC18A3
SCHEMBL3598416 0.89 ACHE (0.46) BACE1ACHEBCHEKMT2ASLC18A3
SCHEMBL2726398 0.86 BACE1 (0.61) BACE1ACHEBCHEKMT2ALMNA
SCHEMBL15172985 0.86 BACE1 (0.61) BACE1ACHEBCHEKMT2ALMNA
SCHEMBL15172984 0.86 BACE1 (0.61) BACE1ACHEBCHEKMT2ALMNA
SCHEMBL2726396 0.86 BACE1 (0.61) BACE1ACHEBCHEKMT2ALMNA
SCHEMBL8416726 0.82 KMT2A (0.58) BACE1ACHEBCHEKMT2ALMNA
SCHEMBL8415734 0.82 KMT2A (0.63) BACE1ACHEBCHEKMT2ALMNA
SCHEMBL8415735 0.82 KMT2A (0.63) BACE1ACHEBCHEKMT2ALMNA

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 7 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
CN-101558057-B 2 -alkyl- indazole compounds for the treatment of certain cns-related disorders ACRAF 2013-05-01 CN 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
CN-101558057-A 2 -alkyl- indazole compounds for the treatment of certain cns-related disorders ACRAF (IT) 2009-10-14 CN 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 BACE1 1164/4885ACHE 621/4885BCHE 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.