SCHEMBL6600985

SCHEMBL6600985

CN1CCN(c2nccnc2C(N)=NO)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.41
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CHIA Q9BZP6 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6600981 1.00 HRH4 (0.41) HRH4GAANPC1RAB9ACHIA
SCHEMBL6600850 0.85 MAPK1 (0.44) GAANPC1RAB9AMEN1GLA
SCHEMBL6600852 0.85 MAPK1 (0.44) GAANPC1RAB9AMEN1GLA
SCHEMBL6603689 0.81 KDM4E (0.41) GAANPC1RAB9AKMT2A
SCHEMBL6603686 0.81 KDM4E (0.41) GAANPC1RAB9AKMT2A
SCHEMBL29563688 0.76 CHIA (0.46) HRH4GAACHIAMEN1GLA
SCHEMBL6600989 0.72 HRH4 (0.44) HRH4GAACHIAMEN1GLA
SCHEMBL4313507 0.67 HRH4 (0.50) HRH4GAAMEN1GLAKMT2A
SCHEMBL28145053 0.65 SIRT2 (0.43) NPC1MEN1KMT2A
SCHEMBL935378 0.65 KDM4E (0.48) HRH4CHIAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373264-B1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2004-12-22 EP disclosed
US-6821972-B2 ANTISCARRING AGENTS; WOUND HEALING AGENTS; ENZYME INHIBITORS PFIZER INC. 2004-11-23 US disclosed
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PFIZER INC. 2003-04-10 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-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PAH, CYP2F1, CYP7A1 HRH4 1635/4885GAA 2209/4885NPC1 129/4885

“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.