SCHEMBL6600850

SCHEMBL6600850

N/C(=N\O)c1nccnc1N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 5/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
TP53 P04637 2/20 0.36
ALOX15 P16050 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
CYP2C9 P11712 1/20 0.34
PLAU P00749 4/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL6600852 1.00 MAPK1 (0.44) MAPK1L3MBTL1GAANPC1RAB9A
SCHEMBL6600985 0.85 HRH4 (0.41) GAANPC1RAB9AGLAMEN1
SCHEMBL6600981 0.85 HRH4 (0.41) GAANPC1RAB9AGLAMEN1
SCHEMBL6603686 0.85 KDM4E (0.41) MAPK1GAANPC1RAB9ACYP1A2
SCHEMBL6603689 0.85 KDM4E (0.41) MAPK1GAANPC1RAB9ACYP1A2
SCHEMBL28145053 0.79 SIRT2 (0.43) NPC1CYP1A2CYP2C19ALOX15HCRTR1
SCHEMBL29546527 0.77 SIRT2 (0.46) GAANPC1RAB9ATSHRCYP1A2
SCHEMBL5754262 0.77 SIRT2 (0.46) GAANPC1RAB9ATSHRCYP1A2
SCHEMBL17859394 0.71 HCRTR1 (0.44) MAPK1L3MBTL1GAANPC1RAB9A
SCHEMBL19566074 0.71 HCRTR1 (0.47) L3MBTL1GAATSHRCYP1A2CYP2C19

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 MAPK1 1221/4885L3MBTL1 4553/4885GAA 2209/4885

“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.