SCHEMBL2497715

SCHEMBL2497715

COc1ccccc1N1C=CN(c2c(C)c(C)c3c(c2C)C(O)C(C)(C)O3)C=C1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.32
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL5345813 0.83 DRD2 (0.44) PKMALDH1A1KDM4EHPGD
SCHEMBL2501549 0.81
Hydrochloric Acid SCHEMBL5350515 0.63 HTR7 (0.42) ALDH1A1
SCHEMBL2471782 0.58 MAPT (0.46) MAPTGAAALDH1A1HPGDHTT
SCHEMBL13143892 0.57 DRD2 (0.50) MAPTGAAALDH1A1POLBKDM4E
SCHEMBL9668101 0.55 ALOX5 (0.46) MAPTALDH1A1KDM4E
SCHEMBL29138547 0.55 DRD2 (0.56) HSD11B1MAPTGAAALDH1A1HPGD
SCHEMBL21354434 0.53 ALDH1A1 (0.58) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL13143893 0.53 DRD2 (0.45) MAPTGAAALDH1A1POLBKDM4E
SCHEMBL7865825 0.53 DRD2 (0.62) MAPTGAAALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411052-B1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-26 US disclosed
EP-1411052-A1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-04-21 EP 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-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 HSD11B1 91/4885MAPT 494/4885GAA 1444/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 HSD11B1 32/4885MAPT 1925/4885GAA 1960/4885

“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.