SCHEMBL1199589

SCHEMBL1199589

COc1cc2c(cc1OC(C)C)-c1c(c(C(=O)N3CCCN(C(=O)C4CCC4)CC3)nn1-c1ccsc1)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PDE7A Q13946 2/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ PDE10A Q9Y233 2/20 0.34
▸ CFTR P13569 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ TTK P33981 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPK1 P28482 2/20 0.33

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
SCHEMBL12046677 0.95 UGCG (0.39) UGCGMEN1KMT2AGAAPDE7A
SCHEMBL12046639 0.88 UGCG (0.38) UGCGMEN1KMT2ACCNA2CDK2
SCHEMBL1160202 0.85 UGCG (0.40) UGCGMEN1KMT2APDE7APDE3A
SCHEMBL16377940 0.85 MEN1 (0.35) UGCGMEN1KMT2APKMGAA
SCHEMBL1199419 0.83 UGCG (0.41) UGCGMEN1KMT2AGAACFTR
SCHEMBL12046636 0.82 CCNA2 (0.40) PDE7APDE10ACCNA2CDK2CCNA1
SCHEMBL12046638 0.79 ALDH1A1 (0.40) UGCGMEN1KMT2AALDH1A1NPC1
SCHEMBL17783259 0.79 KMT2A (0.36) UGCGMEN1KMT2APKMGAA
SCHEMBL12046634 0.79 CCNA2 (0.44) CCNA2CDK2CCNA1ALDH1A1HPGD
SCHEMBL16377701 0.78 MEN1 (0.35) UGCGMEN1KMT2APKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459551-B1 DIHYDROBENZOINDAZOLES MERCK SHARP & DOHME (NL) 2014-07-02 — — EP disclosed
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
US-8071589-B2 Dihydrobenzoindazoles N. V. ORGANON (NL) 2011-12-06 — — US 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
US-20110028451-A1 Dihydrobenzoindazoles N.V. ORGANON (NL) 2011-02-03 — — US disclosed
WO-2011012674-A1 DIHYDROBENZOINDAZOLES N.V. ORGANON (NL) 2011-02-03 — — 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-20110028451-A1 Dihydrobenzoindazoles DHODH, BRDT, HSD17B11 UGCG 2219/4885MEN1 1702/4885KMT2A 2539/4885

“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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