SCHEMBL4463471

SCHEMBL4463471

CCOC(=O)c1[nH]c2ccccc2c(=O)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.61
HTR6 P50406 2/20 0.61
TUBB4A P04350 2/20 0.60
TUBB P07437 2/20 0.60
TUBA3C P0DPH7 2/20 0.60
TUBA1B P68363 2/20 0.60
TUBA4A P68366 2/20 0.60
TUBB4B P68371 2/20 0.60
TUBB3 Q13509 2/20 0.60
TUBB2A Q13885 2/20 0.60
TUBB8 Q3ZCM7 2/20 0.60
TUBA3E Q6PEY2 2/20 0.60
TUBA1A Q71U36 2/20 0.60
TUBA1C Q9BQE3 2/20 0.60
TUBB6 Q9BUF5 2/20 0.60
TUBB2B Q9BVA1 2/20 0.60
TUBB1 Q9H4B7 2/20 0.60
ALDH1A1 P00352 5/20 0.59
HPGD P15428 5/20 0.59
TSHR P16473 1/20 0.59

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
SCHEMBL30002774 1.00 KDM4E (0.61) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL2880010 0.89 KDM4E (0.66) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL5270788 0.86 RAB9A (0.57) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL3103611 0.86 KDM4E (0.59) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL753833 0.85 TUBB4A (0.60) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL6643173 0.83 ALDH1A1 (0.69) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL8412387 0.82 HTR6 (0.65) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL754726 0.82 HTR6 (0.62) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL3276393 0.82 TUBB4A (0.67) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL7534562 0.82 ALDH1A1 (0.71) KDM4EHTR6TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389008-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 US disclosed
WO-2021063914-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2021-04-08 WO disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7183412-B2 Ester or amide derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
EP-1583745-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-10-12 EP disclosed
US-20050090497-A1 Novel ester or amide derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. 2005-04-28 US disclosed
US-6822098-B2 CARBOCYCLIC CARBO, OXO AMINES SUCH AS N-HEPTYL-3-METHYL-4-OXO -1,4-DIHYDROQUINOLINE-2-CARBOXAMIDE, USED FOR PROPHYLAXIS OF GASTROINTERSTINAL DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-23 US disclosed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US disclosed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 WO disclosed
US-20040019214-A1 Novel ester or amide derivatives ASTELLAS PHARMA INC. (JP) 2004-01-29 US disclosed
EP-1314726-A1 NOVEL ESTER OR AMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-05-28 EP 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-20040019214-A1 Novel ester or amide derivatives CYP3A7, UGT2B7, NAT1 KDM4E 1866/4885HTR6 3864/4885TUBB4A 2031/4885
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R KDM4E 3530/4885HTR6 837/4885TUBB4A 2455/4885
US-20050090497-A1 Novel ester or amide derivatives CYP3A7, CYP7A1, UGT2B7 KDM4E 2052/4885HTR6 3906/4885TUBB4A 2219/4885
US-20220389008-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS NQO2, NDUFS3, QARS1 KDM4E 1533/4885HTR6 4398/4885TUBB4A 96/4885

“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.