SCHEMBL22552085

SCHEMBL22552085

CCOC(=O)c1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1.CS(=O)(=O)O

nearest known ligand 0.70

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A known ✓ P04350 1/20 0.70
TUBB known ✓ P07437 1/20 0.70
TUBA3C known ✓ P0DPH7 1/20 0.70
TUBA1B known ✓ P68363 1/20 0.70
TUBA4A known ✓ P68366 1/20 0.70
TUBB4B known ✓ P68371 1/20 0.70
TUBB3 known ✓ Q13509 1/20 0.70
TUBB2A known ✓ Q13885 1/20 0.70
TUBB8 known ✓ Q3ZCM7 1/20 0.70
TUBA3E known ✓ Q6PEY2 1/20 0.70
TUBA1A known ✓ Q71U36 1/20 0.70
TUBA1C known ✓ Q9BQE3 1/20 0.70
TUBB6 known ✓ Q9BUF5 1/20 0.70
TUBB2B known ✓ Q9BVA1 1/20 0.70
TUBB1 known ✓ Q9H4B7 1/20 0.70
KDM4E B2RXH2 8/20 0.66
MAPT P10636 5/20 0.66
ALDH1A1 P00352 10/20 0.58
HPGD P15428 7/20 0.58
LMNA P02545 5/20 0.58

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
SCHEMBL29902897 0.95 TUBB4A (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22552106 0.95 TUBB4A (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29903024 0.95 TUBB4A (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22552082 0.89 TUBB4A (0.89) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29902959 0.89 TUBB4A (0.89) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22552141 0.85 ALDH1A1 (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29902925 0.85 ALDH1A1 (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22552142 0.84 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22552130 0.83 TUBB4A (0.79) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22552107 0.83 TUBB4A (0.79) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12109207-B2 Methods of using 4(1H)-quinolone derivatives ACADEMIA SINICA (TW) 2024-10-08 US disclosed
US-20230233549-A1 METHODS OF USING 4(1H)-QUINOLONE DERIVATIVES ACADEMIA SINICA (TW) 2023-07-27 US disclosed
US-11638705-B2 4(1H)-quinolone derivatives and uses thereof ACADEMIA SINICA (TW) 2023-05-02 US disclosed
CN-111825611-B 4(1H) -quinovone derivatives and uses thereof 刘扶东 2022-09-09 CN disclosed
CN-111825611-A 4(1H) -quinovone derivatives and uses thereof 中央研究院 2020-10-27 CN disclosed
US-20200330449-A1 4(1H)-QUINOLONE DERIVATIVES AND USES THEREOF ACADEMIA SINICA (TW) 2020-10-22 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 (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-11638705-B2 4(1H)-quinolone derivatives and uses thereof TUBB1, TUBB3, TUBB TUBB4A 5/4885TUBB 3/4885TUBA3C 19/4885
US-12109207-B2 Methods of using 4(1H)-quinolone derivatives TUBB1, TUBB3, TUBB TUBB4A 6/4885TUBB 3/4885TUBA3C 20/4885
US-20200330449-A1 4(1H)-QUINOLONE DERIVATIVES AND USES THEREOF TUBB1, TUBB3, TUBA1C TUBB4A 5/4885TUBB 4/4885TUBA3C 18/4885
US-20230233549-A1 METHODS OF USING 4(1H)-QUINOLONE DERIVATIVES TUBB1, TUBB3, TUBB TUBB4A 6/4885TUBB 3/4885TUBA3C 20/4885

“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.