Methane

Methane

SCHEMBL3590620

C.c1ccc(NCC2CCNCC2)cc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.52
KDM1A O60341 9/20 0.51
MAOB P27338 4/20 0.51
MAOA P21397 2/20 0.51
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
KHK P50053 1/20 0.46
TRIM58 Q8NG06 2/20 0.45
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDM1B Q8NB78 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR6 P50406 1/20 0.41

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
SCHEMBL3628527 0.98 GBA1 (0.53) GBA1KDM1AMAOBMAOACARM1
Hydrochloric Acid SCHEMBL28223443 0.96 GBA1 (0.52) GBA1KDM1AMAOBMAOACARM1
SCHEMBL27551537 0.87 KDM1A (0.55) GBA1KDM1AMAOBMAOACARM1
SCHEMBL1203475 0.87 KDM1A (0.55) GBA1KDM1AMAOBMAOACARM1
SCHEMBL10055063 0.84 CARM1 (0.57) GBA1CARM1PRMT6SIGMAR1NPC1
SCHEMBL10055002 0.84 CARM1 (0.57) GBA1CARM1PRMT6SIGMAR1NPC1
SCHEMBL18434523 0.84 CARM1 (0.57) GBA1CARM1PRMT6SIGMAR1NPC1
SCHEMBL1722281 0.84 CARM1 (0.57) GBA1CARM1PRMT6SIGMAR1NPC1
SCHEMBL9679337 0.80 EPHX1 (0.54) CARM1PRMT6NPC1RAB9ASMN1; SMN2
SCHEMBL872221 0.80 CARM1 (0.54) GBA1CARM1PRMT6NPC1RAB9A

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 GBA1 195/4885KDM1A 2892/4885MAOB 65/4885

“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.