SCHEMBL6541728

SCHEMBL6541728

COc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.72
RAB9A P51151 6/20 0.72
NPC1 O15118 5/20 0.72
MAPT P10636 4/20 0.72
MAPK1 P28482 3/20 0.72
F10 P00742 1/20 0.70
KMT2A Q03164 3/20 0.70
LMNA P02545 3/20 0.70
GAA P10253 1/20 0.70
PHGDH O43175 1/20 0.68
ALDH1A1 P00352 1/20 0.64
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62

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
SCHEMBL2414416 0.87 PHGDH (0.70) SMN1; SMN2RAB9ANPC1MAPTMAPK1
SCHEMBL27847056 0.84 PHGDH (0.74) SMN1; SMN2RAB9ANPC1MAPTMAPK1
SCHEMBL641989 0.84 PHGDH (0.77) SMN1; SMN2RAB9ANPC1MAPTMAPK1
SCHEMBL6958604 0.82 PHGDH (0.76) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL10376329 0.82 PHGDH (0.70) SMN1; SMN2RAB9ANPC1MAPTMAPK1
SCHEMBL6169544 0.82 NPC1 (0.78) SMN1; SMN2RAB9ANPC1MAPTMAPK1
SCHEMBL8293254 0.82 MAPT (0.59) SMN1; SMN2RAB9ANPC1MAPTMAPK1
SCHEMBL7278132 0.81 PHGDH (0.68) SMN1; SMN2RAB9ANPC1MAPTMAPK1
SCHEMBL3821744 0.81 F10 (0.93) SMN1; SMN2RAB9ANPC1F10KMT2A
SCHEMBL27847196 0.80 RAB9A (0.60) SMN1; SMN2RAB9ANPC1MAPTMAPK1

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
EP-1007037-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-10-06 EP disclosed
US-6677369-B2 CARBOXIMIDAMIDE DERIVATIVE ANTICOAGULANTS INHIBIT FACTOR XA ELI LILLY AND COMPANY 2004-01-13 US disclosed
US-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates BEIGHT DOUGLAS WADE (US) 2003-10-16 US disclosed
US-6417200-B1 BLOOD COAGULATION FACTOR XA IN MAMMALS ELI LILLY AND COMPANY 2002-07-09 US disclosed
EP-1007037-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-06-14 EP disclosed
WO-1999000127-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates F12, F11, F2 SMN1; SMN2 3164/4885RAB9A 2402/4885NPC1 1837/4885

“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.