SCHEMBL12046643

SCHEMBL12046643

CCOC(=O)c1nn(-c2nc3ccccc3s2)c2c1CCc1cc(OC)c(OC(C)C)cc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ GPX4 P36969 1/20 0.39
▸ CCNA2 P20248 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ CCNA1 P78396 3/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.37

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
SCHEMBL12046644 0.85 PDE7A (0.42) ALDH1A1MAPK1NPSR1TSHRDUSP3
SCHEMBL12060227 0.84 MAPT (0.44) KCNK3ALDH1A1MAPK1NPSR1CCNA2
SCHEMBL12046648 0.82 KCNK3 (0.48) KCNK3ALDH1A1MAPK1NPSR1CCNA2
SCHEMBL12046655 0.82 SLC5A1 (0.43) KCNK3ALDH1A1MAPK1NPSR1CCNA2
SCHEMBL12046645 0.82 KCNK3 (0.42) KCNK3ALDH1A1MAPK1NPSR1CCNA2
SCHEMBL15850622 0.82 CCNA2 (0.55) KCNK3ALDH1A1MAPK1NPSR1CCNA2
SCHEMBL15850651 0.81 CCNA2 (0.45) KCNK3ALDH1A1MAPK1NPSR1CCNA2
SCHEMBL12046634 0.81 CCNA2 (0.44) KCNK3ALDH1A1MAPK1NPSR1CCNA2
SCHEMBL12046640 0.80 ALDH1A1 (0.52) KCNK3ALDH1A1MAPK1NPSR1CCNA2
SCHEMBL12046650 0.80 CCNA2 (0.46) KCNK3ALDH1A1MAPK1NPSR1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KCNK3 555/4885ALDH1A1 54/4885MAPK1 1238/4885

“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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