SCHEMBL6744941

SCHEMBL6744941

Nc1c[c]cc(C(=O)NC(=O)c2ccccc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
PYGL P06737 1/20 0.46
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
RAB9A P51151 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 1/20 0.41
SMO Q99835 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
JAK2 O60674 1/20 0.41

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
SCHEMBL7113143 0.85 KDM4E (0.51) POLBPYGLKDM4ECYP1A2CYP2C19
SCHEMBL6737821 0.80 PTGS1 (0.51) RAB9AKCNK3KCNK9ALDH1A1NPC1
SCHEMBL5846767 0.77 HDAC6 (0.47) KDM4ERAB9AL3MBTL1KCNK3KCNK9
SCHEMBL5846937 0.76 RAB9A (0.45) KDM4ERAB9AKMT2ANPC1GAA
SCHEMBL5846817 0.76 SMN1; SMN2 (0.56) POLBKDM4EHPGDRAB9AL3MBTL1
SCHEMBL9849002 0.75 SMO (0.67) POLBPYGLKDM4EHPGDCYP1A2
SCHEMBL5846615 0.75 CTSD (0.45) POLBKDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL6737953 0.75 FLT1 (0.59) POLBKMT2A
SCHEMBL7114643 0.74 OGG1 (0.47) POLBKDM4ECYP1A2CYP2C19RAB9A
SCHEMBL6740704 0.73 HDAC1 (0.51) KDM4ERAB9AL3MBTL1KCNK3KCNK9

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-6686484-B2 ANTICOAGULANTS; SERINE PROTEASE INHIBITOR PHARMACIA CORPORATION 2004-02-03 US claimed
EP-1351686-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-10-15 EP claimed
WO-2002042272-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2002-05-30 WO claimed
EP-1351686-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-10-15 EP disclosed
US-20020198199-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-12-26 US disclosed
WO-2002042272-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2002-05-30 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-20020198199-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT POLB 1821/4885PYGL 178/4885KDM4E 2122/4885

“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.