SCHEMBL12046640

SCHEMBL12046640

CCOC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1cc(OC)c(OC(C)C)cc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ CCNA2 P20248 3/20 0.49
▸ CDK2 P24941 3/20 0.49
▸ CCNA1 P78396 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KCNK3 O14649 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ APP P05067 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SLC5A1 P13866 1/20 0.41
▸ SLC5A2 P31639 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ IKBKB O14920 4/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL12046624 0.94 ALDH1A1 (0.58) ALDH1A1KDM4ETP53HPGDCCNA2
SCHEMBL15850622 0.93 CCNA2 (0.55) ALDH1A1KDM4ETP53HPGDCCNA2
SCHEMBL12046637 0.88 CCNA2 (0.46) ALDH1A1KDM4ETP53HPGDCCNA2
SCHEMBL15850651 0.87 CCNA2 (0.45) ALDH1A1KDM4ETP53HPGDCCNA2
SCHEMBL12046634 0.86 CCNA2 (0.44) ALDH1A1KDM4ETP53HPGDCCNA2
SCHEMBL12046650 0.86 CCNA2 (0.46) ALDH1A1KDM4ETP53HPGDCCNA2
SCHEMBL12046651 0.86 CCNA2 (0.44) ALDH1A1KDM4ETP53HPGDCCNA2
SCHEMBL12060227 0.84 MAPT (0.44) ALDH1A1KDM4ETP53HPGDCCNA2
SCHEMBL12046648 0.83 KCNK3 (0.48) ALDH1A1KDM4ETP53HPGDCCNA2
SCHEMBL12046655 0.83 SLC5A1 (0.43) ALDH1A1KDM4ETP53HPGDCCNA2

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-2459551-B1 DIHYDROBENZOINDAZOLES MERCK SHARP & DOHME (NL) 2014-07-02 — — EP disclosed
US-8071589-B2 Dihydrobenzoindazoles N. V. ORGANON (NL) 2011-12-06 — — US disclosed
US-8071589-B2 Dihydrobenzoindazoles N. V. ORGANON (NL) 2011-12-06 — — US disclosed
WO-2011012674-A1 DIHYDROBENZOINDAZOLES N.V. ORGANON (NL) 2011-02-03 — — WO disclosed
US-20110028451-A1 Dihydrobenzoindazoles N.V. ORGANON (NL) 2011-02-03 — — US disclosed
US-20110028451-A1 Dihydrobenzoindazoles N.V. ORGANON (NL) 2011-02-03 — — 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-20110028451-A1 Dihydrobenzoindazoles DHODH, BRDT, HSD17B11 ALDH1A1 54/4885KDM4E 2039/4885TP53 2410/4885

“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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