SCHEMBL24301574

SCHEMBL24301574

NCCC[C@H](NC(=O)c1cccc(Br)c1)c1ncc(-c2ccccc2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 1/20 0.43
▸ KLKB1 P03952 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 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
SCHEMBL26667498 1.00 F11 (0.43) F11KLKB1ALDH1A1HDAC1HDAC6
SCHEMBL26667415 0.89 HDAC1 (0.44) F11KLKB1ALDH1A1HDAC1HDAC6
SCHEMBL26667413 0.89 HDAC1 (0.44) F11KLKB1ALDH1A1HDAC1HDAC6
SCHEMBL29717083 0.87 C3AR1 (0.47) F11KLKB1
SCHEMBL24301575 0.87 C3AR1 (0.47) F11KLKB1
SCHEMBL24301578 0.87 C3AR1 (0.47) F11KLKB1
SCHEMBL24302628 0.84 SUCNR1 (0.42) F11KLKB1
SCHEMBL26667467 0.84 SUCNR1 (0.42) F11KLKB1
SCHEMBL30613468 0.83 MAPT (0.45) ALDH1A1HDAC1HDAC6MAPT
SCHEMBL24302609 0.83 MAPT (0.45) ALDH1A1HDAC1HDAC6MAPT

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 7 patents. 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
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 — — US disclosed
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 — — US disclosed
EP-4225743-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF Helios Huaming Biopharma Co., Ltd. (CN) 2023-08-16 — — EP disclosed
CN-116367832-A Substituted heteroaryl compounds and uses thereof 苏州华明道康生物医药有限公司 2023-06-30 — — CN disclosed
WO-2022078294-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2022-04-21 — — WO disclosed
WO-2022078294-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2022-04-21 — — 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-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF SSB, BTK, PADI6 F11 4676/4885KLKB1 2194/4885ALDH1A1 1123/4885

“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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