SCHEMBL6449042

SCHEMBL6449042

N=C(NO)c1nccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
PLAU P00749 2/20 0.46
CYP2A6 P11509 1/20 0.46
F12 P00748 1/20 0.46
NCF1 P14598 1/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
BACE1 P56817 1/20 0.46
HDAC6 Q9UBN7 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45

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
SCHEMBL6448849 0.84 PLAU (0.48) RAB9APLAUCYP2A6F12NCF1
SCHEMBL2230478 0.80 RAB9A (0.60) RAB9AHDAC6HDAC8HDAC3HDAC4
SCHEMBL5598284 0.77 PLAU (0.59) RAB9APLAUCYP2A6F12NCF1
SCHEMBL25482213 0.77 CYP2A6 (0.53) RAB9APLAUCYP2A6F12NCF1
Hydrochloric Acid SCHEMBL7002084 0.76 PLAU (0.57) RAB9APLAUCYP2A6F12NCF1
Hydrochloric Acid SCHEMBL5729154 0.76 PLAU (0.57) RAB9APLAUCYP2A6F12NCF1
SCHEMBL970997 0.76 CNR2 (0.53) RAB9APLAUCYP2A6F12NCF1
SCHEMBL4404077 0.75 CNR2 (0.64) RAB9APLAUCYP2A6F12NCF1
SCHEMBL5357601 0.73 CNR2 (0.54) RAB9APLAUCYP2A6F12NCF1
SCHEMBL12438889 0.73 RAB9A (0.49) RAB9APLAUCYP2A6F12NCF1

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO disclosed
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 (2 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC RAB9A 2483/4885PLAU 3775/4885CYP2A6 88/4885
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PAH, CYP2F1, CYP7A1 RAB9A 1744/4885PLAU 3015/4885CYP2A6 33/4885

“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.