SCHEMBL12046664

SCHEMBL12046664

CCOC(=O)c1nn(-c2ccccc2Cl)c2c1CCc1cc(OC)ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.51
▸ CCNA2 P20248 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ CCNA1 P78396 1/20 0.50
▸ PDE4B Q07343 3/20 0.48
▸ MAPT P10636 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SMURF2 Q9HAU4 2/20 0.44
▸ SMURF1 Q9HCE7 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PDE4A P27815 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ THRB P10828 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL12046658 0.85 PDE4B (0.45) CCNA2CDK2CCNA1PDE4BALDH1A1
SCHEMBL19128204 0.82 CCNA2 (0.54) RAD52CCNA2CDK2CCNA1MAPT
SCHEMBL12046675 0.82 CCNA2 (0.55) RAD52CCNA2CDK2CCNA1MAPT
SCHEMBL6793005 0.80 CCNA2 (0.65) RAD52CCNA2CDK2CCNA1MAPT
SCHEMBL4633677 0.77 PDE4B (0.52) PDE4BALDH1A1PDE4APDE4CPDE4D
SCHEMBL6791972 0.77 ALDH1A1 (0.53) RAD52CCNA2CDK2CCNA1ALDH1A1
SCHEMBL2911118 0.76 CNR2 (0.66) —
SCHEMBL17572180 0.76 CDK2 (0.47) CCNA2CDK2CCNA1MAPTALDH1A1
SCHEMBL7364 0.75 PDE4B (0.49) PDE4BMAPTALDH1A1PDE4APDE4C
SCHEMBL4726269 0.75 GABRA2 (0.47) CCNA2CDK2CCNA1MAPTKDM4E

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
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
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 RAD52 4246/4885CCNA2 4115/4885CDK2 2142/4885

“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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