SCHEMBL29839402

SCHEMBL29839402

COc1ccccc1-n1cc(C)c2ncc(C(=O)Nc3ccccc3OCc3ccccc3)n2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.44
▸ EPHB3 P54753 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NR3C1 P04150 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SENP7 Q9BQF6 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ P4HTM Q9NXG6 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL22729543 1.00 BRD4 (0.44) BRD4EPHB3L3MBTL1TDP1NR3C1
SCHEMBL22729606 0.85 BRD4 (0.49) BRD4EPHB3L3MBTL1TDP1RXFP1
SCHEMBL22729864 0.82 LMNA (0.41) EPHB3L3MBTL1KMT2ATSHRMEN1
SCHEMBL22729533 0.81 MAPT (0.42) EPHB3L3MBTL1HSD17B10TSHRKDM4E
SCHEMBL29839337 0.76 MAPT (0.50) TDP1KMT2AHSD17B10MEN1NPC1
SCHEMBL22729511 0.76 MAPT (0.50) TDP1KMT2AHSD17B10MEN1NPC1
SCHEMBL29839344 0.75 SCN9A (0.41) NR3C1KMT2ANPC1KDM4EGAA
SCHEMBL22729549 0.75 SCN9A (0.41) NR3C1KMT2ANPC1KDM4EGAA
SCHEMBL22729540 0.74 ATP4A (0.42) L3MBTL1KMT2AMEN1KDM4EGAA
SCHEMBL22729453 0.72 MAPK14 (0.39) L3MBTL1TSHRKDM4ETP53NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 — — 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-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC BRD4 1201/4885EPHB3 4803/4885L3MBTL1 1525/4885

“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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