SCHEMBL6889608

SCHEMBL6889608

O=CCn1c(=O)c([N+](=O)[O-])cn(-c2ccccc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 4/20 0.38
FGFR1 P11362 1/20 0.37
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 3/20 0.35
MAOB P27338 1/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CES2 O00748 1/20 0.32

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
SCHEMBL5847718 0.76 KDM4E (0.47) CMA1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL1882445 0.65 FGFR1 (0.49) FGFR1KMT2AMEN1MAPTRAB9A
SCHEMBL1888708 0.64 MEN1 (0.42) FGFR1KMT2AMEN1MAPTRAB9A
SCHEMBL15435555 0.63 RECQL (0.52) KMT2AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL8561900 0.62 KDM4E (0.56) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL15791877 0.59 ERCC1 (0.54) LMNAALDH1A1HTTMAPK1
SCHEMBL1882326 0.59 ALDH1A1 (0.53) CMA1FGFR1KMT2AMEN1MAPT
SCHEMBL15332270 0.58 ERN1 (0.40) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL1883983 0.58 ALDH1A1 (0.43) FGFR1KMT2AMEN1MAPTRAB9A
Benzene SCHEMBL27733069 0.57 ALDH1A1 (0.65) KMT2AMEN1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1178971-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS AS ANTICOAGULATIVE AGENTS Pharmacia Corporation (US) 2002-02-13 EP disclosed
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed
WO-2000069833-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS AS ANTICOAGULATIVE AGENTS PHARMACIA CORPORATION (US) 2000-11-23 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-20030023086-A1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade TFPI, PLAT, PLAU CMA1 281/4885FGFR1 2312/4885KMT2A 3393/4885

“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.