SCHEMBL6019265

SCHEMBL6019265

CCOC(=O)c1cc2cc(N)ccc2n1Cc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 1/20 0.52
▸ NOD1 Q9Y239 1/20 0.52
▸ KDM4E B2RXH2 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ F10 P00742 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ECE1 P42892 8/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ POLB P06746 1/20 0.44

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
SCHEMBL6533968 0.87 NOD2 (0.52) NOD2NOD1KDM4EMAPTF10
SCHEMBL6019085 0.83 NOD2 (0.50) NOD2NOD1KDM4EMAPTF10
SCHEMBL6173849 0.83 KMT2A (0.43) KDM4EMEN1KMT2AL3MBTL1LMNA
SCHEMBL4194183 0.81 NOD2 (0.50) NOD2NOD1KDM4EMAPTF10
SCHEMBL23045571 0.81 NOD2 (0.46) NOD2NOD1KDM4EMAPTF10
SCHEMBL29463246 0.81 NOD2 (0.46) NOD2NOD1KDM4EMAPTF10
SCHEMBL6019060 0.80 ECE1 (0.74) ECE1
SCHEMBL16733085 0.79 KDM4E (0.50) NOD2NOD1KDM4EMAPTF10
SCHEMBL31383524 0.79 KDM4E (0.52) NOD2NOD1KDM4EMAPTF10
SCHEMBL23045603 0.79 KDM4E (0.52) NOD2NOD1KDM4EMAPTF10

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-20060183753-A1 Use of substituted 2,5-diamidoindoles for the treatment of urological diseases BAYER HEALTHCARE AG (DE) 2006-08-17 — — US disclosed
US-7045544-B2 Substituted 2,5-diamidoindoles as ECE inhibitors for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2006-05-16 — — US disclosed
EP-1578418-A2 USE OF SUBSTITUTED 2,5-DIAMIDOINDOLES FOR THE TREATMENT OF UROLOGICAL DISEASES Bayer HealthCare AG (DE) 2005-09-28 — — EP disclosed
US-20050038101-A1 Substituted 2 5-diamidoindoles as ece inhibitors for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2005-02-17 — — US disclosed
WO-2004056768-A2 USE OF SUBSTITUTED 2,5-DIAMIDOINDOLES FOR THE TREATMENT OF UROLOGICAL DISEASES BAYER HEALTHCARE AG (DE) 2004-07-08 — — WO disclosed
WO-2003028719-A1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2003-04-10 — — 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 (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-20060183753-A1 Use of substituted 2,5-diamidoindoles for the treatment of urological diseases DCK, UROD, QDPR NOD2 4141/4885NOD1 4321/4885KDM4E 1759/4885
US-20050038101-A1 Substituted 2 5-diamidoindoles as ece inhibitors for the treatment of cardiovascular diseases ECE1, ECE2, EDNRA NOD2 4457/4885NOD1 3989/4885KDM4E 67/4885

“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.

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