SCHEMBL5846757

SCHEMBL5846757

O=c1[nH]c(=O)n(-c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.49
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SCN2A Q99250 1/20 0.47
PGR P06401 1/20 0.45
FGFR1 P11362 1/20 0.45
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL16167009 0.82 MAPT (0.43) POLBALDH1A1SCN2AMEN1MAPT
SCHEMBL23296154 0.80 DDB1 (0.57) HPNPOLBALDH1A1SCN2APGR
SCHEMBL3586307 0.72 MAPT (0.56) HPNPOLBALDH1A1SCN2AFGFR1
SCHEMBL5328812 0.71 HPN (0.58) HPNPOLBALDH1A1SCN2AMEN1
SCHEMBL10889569 0.70 PDE4A (0.57) HPNPOLBALDH1A1SCN2AFGFR1
SCHEMBL5249967 0.69 PDE4A (0.57) HPNSCN2AFGFR1MEN1MAPT
SCHEMBL3970330 0.69 ALDH1A1 (0.57) HPNPOLBALDH1A1SCN2AFGFR1
SCHEMBL31739259 0.69 ALDH1A1 (0.57) HPNPOLBALDH1A1SCN2AFGFR1
SCHEMBL6772234 0.68 CYP1A2 (0.43) HPNPOLBALDH1A1SCN2AFGFR1
SCHEMBL30955769 0.68 POLB (0.44) POLBALDH1A1SCN2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015230-B1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US disclosed
US-6716838-B1 INHIBITORS OF SERINE PROTEASES OF THE COAGULATION CASCADE PHARMACIA CORPORATION 2004-04-06 US disclosed
US-20030023086-A1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2003-01-30 US disclosed
US-6458952-B1 ENZYME INHIBITORS FOR SERINE METHODS FOR PREVENTING AND TREATING THROMBOTIC CONDITIONS SUCH AS CORONARY ARTERY AND CEREBROVASCULAR DISEASE WITH COMPOUNDS THAT INHIBIT SERINE PROTEASES OF THE COAGULATION CASCADE. PHARMACIA CORPORATION 2002-10-01 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-20030023086-A1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade TFPI, PLAT, PLAU HPN 49/4885POLB 393/4885ALDH1A1 1761/4885

“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.