SCHEMBL6449048

SCHEMBL6449048

NC(=NO)c1nccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.53
PLG P00747 2/20 0.53
F12 P00748 1/20 0.48
NCF1 P14598 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
BACE1 P56817 1/20 0.48
CYP2A6 P11509 1/20 0.44
CNR2 P34972 5/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CFTR P13569 1/20 0.40
GOPC Q9HD26 1/20 0.40
HDAC3 O15379 1/20 0.39

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
SCHEMBL6603107 1.00 PLAU (0.53) PLAUPLGF12NCF1NOS3
SCHEMBL6448851 0.86 PLAU (0.53) PLAUPLGF12NCF1NOS3
SCHEMBL3816448 0.79 PLAU (0.53) PLAUPLGF12NCF1NOS3
SCHEMBL5598284 0.79 PLAU (0.59) PLAUPLGF12NCF1NOS3
SCHEMBL8564181 0.79 CASP3 (0.49) PLAUPLGF12NCF1NOS3
Hydrochloric Acid SCHEMBL7002084 0.78 PLAU (0.57) PLAUPLGF12NCF1NOS3
SCHEMBL29358323 0.78 CNR2 (0.53) PLAUPLGF12NCF1NOS3
Hydrochloric Acid SCHEMBL5729154 0.78 PLAU (0.57) PLAUPLGF12NCF1NOS3
SCHEMBL111310 0.78 CNR2 (0.53) PLAUPLGF12NCF1NOS3
SCHEMBL9024733 0.77 CNR2 (0.46) PLAUPLGF12NCF1NOS3

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 PLAU 3775/4885PLG 4331/4885F12 2681/4885
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PAH, CYP2F1, CYP7A1 PLAU 3015/4885PLG 1482/4885F12 2541/4885

“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.