SCHEMBL17059742

SCHEMBL17059742

CN1C(=O)c2ccccc2Oc2cc(Cl)ncc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 7/20 0.57
▸ BRD4 O60885 6/20 0.57
▸ NR1H2 P55055 1/20 0.51
▸ NR1H3 Q13133 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ BRD3 Q15059 1/20 0.39
▸ BRDT Q58F21 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ TTR P02766 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ HDAC4 P56524 1/20 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
SCHEMBL16065742 0.78 MAPK7 (0.45) MAPK7BRD4NR1H2NR1H3KDM4E
SCHEMBL17059804 0.77 MAPK7 (0.54) MAPK7BRD4NR1H2NR1H3KDM4E
SCHEMBL14288741 0.77 NR1H2 (0.58) MAPK7BRD4NR1H2NR1H3KDM4E
SCHEMBL17059740 0.75 MAPK7 (0.42) MAPK7BRD4NR1H2NR1H3KDM4E
SCHEMBL9853218 0.74 NR1H2 (0.50) MAPK7BRD4NR1H2NR1H3KDM4E
SCHEMBL17059747 0.74 MAPT (0.46) ALDH1A1HPGD
SCHEMBL17059946 0.74 MAPK7 (1.00) MAPK7BRD4NR1H2NR1H3BRD2
Hydrochloric Acid SCHEMBL9853274 0.73 NR1H2 (0.49) MAPK7BRD4NR1H2NR1H3KDM4E
SCHEMBL18370117 0.73 MAPK7 (0.55) MAPK7BRD4NR1H2NR1H3ALDH1A1
SCHEMBL18369821 0.73 CA9 (0.41) MAPK7BRD4CASP3TTRCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170008888-A1 HETEROCYCLIC COMPOUNDS ACTIVX BIOSCIENCES, INC. 2017-01-12 — — US disclosed
US-20170008888-A1 HETEROCYCLIC COMPOUNDS ACTIVX BIOSCIENCES, INC. 2017-01-12 — — US disclosed
WO-2015129927-A1 HETEROCYCLIC COMPOUNDS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-09-03 — — 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-20170008888-A1 HETEROCYCLIC COMPOUNDS BET1, EP300, RBBP5 MAPK7 58/4885BRD4 4/4885NR1H2 538/4885

“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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