SCHEMBL26902823

SCHEMBL26902823

Cc1ccc2cc(C(=O)N[C@@H](CCCN)c3ncc(-c4ccccc4)o3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ HDAC5 Q9UQL6 2/20 0.43
▸ F11 P03951 1/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ PIN1 Q13526 1/20 0.40
▸ DYRK1A Q13627 3/20 0.39
▸ DYRK1B Q9Y463 3/20 0.39
▸ UTS2R Q9UKP6 7/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ROCK2 O75116 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
SCHEMBL24302608 0.89 PDE4A (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL24301579 0.89 PDE4A (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL26902790 0.86 HDAC1 (0.39) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL26667498 0.82 F11 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL24301574 0.82 F11 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL24301575 0.81 C3AR1 (0.47) F11KLKB1UTS2RROCK2ROCK1
SCHEMBL29717083 0.81 C3AR1 (0.47) F11KLKB1UTS2RROCK2ROCK1
SCHEMBL24301578 0.81 C3AR1 (0.47) F11KLKB1UTS2RROCK2ROCK1
SCHEMBL24301585 0.80 UTS2R (0.42) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL26667401 0.80 UTS2R (0.42) HDAC1HDAC3HDAC4HDAC7HDAC2

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-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 — — 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-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF SSB, BTK, PADI6 HDAC1 987/4885HDAC3 346/4885HDAC4 935/4885

“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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