SCHEMBL6698677

SCHEMBL6698677

CCC(=O)NC(=O)c1[c]cccc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
GAA P10253 3/20 0.34
UBE2N P61088 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 4/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 4/20 0.32
POLB P06746 1/20 0.32
PLK1 P53350 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2C19 P33261 1/20 0.31

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
SCHEMBL7476442 0.81 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KMT2ANPSR1KDM4E
SCHEMBL6882657 0.78 L3MBTL1 (0.42) ALDH1A1SMN1; SMN2KMT2AKDM4EHTT
SCHEMBL6484868 0.78 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL6284879 0.77 HTT (0.50) ALDH1A1SMN1; SMN2KMT2ALMNAHTT
SCHEMBL6866131 0.76 MEN1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL6859753 0.76 MEN1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL7088459 0.74 ALOX5 (0.41) ALDH1A1SMN1; SMN2KMT2ALMNANPSR1
SCHEMBL7990577 0.74 KMT2A (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL6790765 0.71 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL27749672 0.71 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-07-15 US claimed
JP-2004505014-A 2004-02-19 JP claimed
US-20030139401-A9 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION 2003-07-24 US claimed
EP-1292579-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-03-19 EP claimed
EP-1268428-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-01-02 EP claimed
EP-1268463-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-01-02 EP claimed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001077079-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO claimed
WO-2001077097-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO claimed

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-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT ALDH1A1 2669/4885SMN1; SMN2 3843/4885MEN1 3795/4885
US-20030139401-A9 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE TFPI, F2, PLAT ALDH1A1 2284/4885SMN1; SMN2 4469/4885MEN1 2051/4885

“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.