SCHEMBL16897778

SCHEMBL16897778

CCO/C=C/C(=O)Nc1ccc(-n2c(C)nnc2C)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ GAA P10253 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TRPV1 Q8NER1 2/20 0.39
▸ MAPT P10636 7/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ HPGD P15428 1/20 0.37
▸ SETDB1 Q15047 1/20 0.37
▸ IMPDH2 P12268 1/20 0.37
▸ TP53 P04637 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16897779 1.00 ALDH1A1 (0.40) ALDH1A1GAAHTTUSP2TRPV1
SCHEMBL28105972 0.81 TRPV1 (0.42) ALDH1A1GAAHTTUSP2TRPV1
SCHEMBL16906037 0.78 GRM4 (0.48) ALDH1A1GAAHTTTRPV1MAPT
SCHEMBL23842642 0.78 GRM4 (0.48) ALDH1A1HTTTRPV1KMT2AMEN1
SCHEMBL10288042 0.76 ALDH1A1 (0.43) ALDH1A1GAAHTTTRPV1MAPT
SCHEMBL27030120 0.76 ALDH1A1 (0.48) ALDH1A1HTTTRPV1MAPTKMT2A
SCHEMBL30355109 0.76 ALDH1A1 (0.48) ALDH1A1HTTTRPV1MAPTKMT2A
SCHEMBL358952 0.74 ALDH1A1 (0.53) ALDH1A1HTTMAPTKMT2AMEN1
SCHEMBL358951 0.74 ALDH1A1 (0.53) ALDH1A1HTTMAPTKMT2AMEN1
SCHEMBL16896744 0.73 IMPDH2 (0.45) GAAHTTMAPTIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-11-29 — — US disclosed
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2018-09-18 — — US disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
EP-3092227-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-11-16 — — EP disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — WO disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — 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 (4 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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 ALDH1A1 2949/4885GAA 3077/4885HTT 1519/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 ALDH1A1 2949/4885GAA 3077/4885HTT 1519/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 ALDH1A1 2949/4885GAA 3077/4885HTT 1519/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 ALDH1A1 2949/4885GAA 3077/4885HTT 1519/4885

“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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