SCHEMBL6326873

SCHEMBL6326873

Nc1ccc(C(=O)c2ccc(-n3ccnn3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.50
ESRRA P11474 1/20 0.47
CYP19A1 P11511 2/20 0.41
KCNJ1 P48048 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KEAP1 Q14145 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL76794 0.86 NOTUM (0.64) NOTUMCYP19A1KEAP1LMNA
SCHEMBL6827358 0.81 NOTUM (0.55) NOTUMCYP19A1KCNJ1KEAP1MAPK9
SCHEMBL462839 0.80 NOTUM (0.56) NOTUMCYP19A1KCNJ1CA12CA1
SCHEMBL6326785 0.79 L3MBTL1 (0.56) NOTUMCYP19A1CA12CA1CA2
SCHEMBL18865501 0.78 KCNJ1 (0.62) NOTUMCYP19A1KCNJ1KEAP1KMT2A
SCHEMBL460993 0.78 NOTUM (0.59) NOTUMCYP19A1KCNJ1KEAP1MAPK9
SCHEMBL10447781 0.76 NOTUM (0.78) NOTUMCYP19A1KEAP1
SCHEMBL22391983 0.74 HTT (0.55) NOTUMCYP19A1CA12CA1CA2
SCHEMBL15520031 0.74 NOTUM (0.54) NOTUMCYP19A1MAPK9MAPK10HPGD
SCHEMBL31638362 0.74 NOTUM (0.54) NOTUMCYP19A1KCNJ1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 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-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 SERPINE1, SERPINC1, SERPINB1 NOTUM 4337/4885ESRRA 2404/4885CYP19A1 95/4885

“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.