SCHEMBL6604155

SCHEMBL6604155

N=C(NO)c1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.57
CYP1A2 P05177 1/20 0.46
BCAT1 P54687 1/20 0.46
CFTR P13569 1/20 0.46
KDR P35968 2/20 0.45
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TOP2A P11388 2/20 0.43
TOP2B Q02880 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGDS O60760 1/20 0.42
BIRC5 O15392 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MITF O75030 1/20 0.41
XBP1 P17861 1/20 0.41
PAX8 Q06710 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
SCHEMBL2230677 0.79 MGAM (0.67) MGAMCYP1A2BCAT1CFTRKDR
SCHEMBL9209728 0.79 MGAM (0.57) MGAMCYP1A2BCAT1CFTRKDR
SCHEMBL5674933 0.79 MGAM (0.61) MGAMCYP1A2BCAT1CFTRKDR
SCHEMBL2005579 0.75 MGAM (0.71) MGAMCYP1A2BCAT1CFTRKDR
SCHEMBL3396690 0.74 MGAM (0.65) MGAMCYP1A2BCAT1CFTRKDR
SCHEMBL1765966 0.74 MGAM (0.65) MGAMCYP1A2BCAT1CFTRKDR
SCHEMBL7371232 0.74 MGAM (0.76) MGAMCYP1A2BCAT1CFTRKDR
SCHEMBL5436334 0.73 MGAM (0.58) MGAMCYP1A2BCAT1CFTRKDR
Bromide SCHEMBL7374451 0.73 MGAM (0.73) MGAMCYP1A2BCAT1CFTRKDR
SCHEMBL4816887 0.73 MGAM (0.73) MGAMCYP1A2BCAT1CFTRKDR

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
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
EP-1373264-A1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS Pfizer Limited (GB) 2004-01-02 EP disclosed
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PFIZER INC. 2003-04-10 US disclosed
WO-2002079200-A1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LIMITED (GB) 2002-10-10 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-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PAH, CYP2F1, CYP7A1 MGAM 2243/4885CYP1A2 28/4885BCAT1 1413/4885

“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.