SCHEMBL4434197

SCHEMBL4434197

CCOC(=O)c1ccc(-c2ccccc2)nc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.67
ALDH1A1 P00352 5/20 0.67
RAB9A P51151 8/20 0.61
NPC1 O15118 7/20 0.61
CASP3 P42574 2/20 0.61
SENP8 Q96LD8 2/20 0.61
SENP7 Q9BQF6 2/20 0.61
SENP6 Q9GZR1 2/20 0.61
ATM Q13315 2/20 0.61
SMN1; SMN2 Q16637 9/20 0.58
KDM4E B2RXH2 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 4/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TSHR P16473 2/20 0.54

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
SCHEMBL25866687 0.88 SMN1; SMN2 (0.65) MDM2ALDH1A1RAB9ANPC1CASP3
SCHEMBL29232726 0.87 CCR6 (0.56) MDM2ALDH1A1RAB9ANPC1ATM
SCHEMBL8946445 0.87 MDM2 (0.68) MDM2ALDH1A1RAB9ANPC1ATM
SCHEMBL9784691 0.87 KDM4E (0.55) MDM2ALDH1A1RAB9ANPC1ATM
SCHEMBL28779576 0.86 DCTPP1 (0.60) MDM2ALDH1A1RAB9ANPC1CASP3
SCHEMBL4386607 0.85 RAB9A (0.74) MDM2ALDH1A1RAB9ANPC1CASP3
SCHEMBL4131672 0.85 KDM4E (0.54) MDM2ALDH1A1RAB9ANPC1ATM
SCHEMBL9647875 0.85 SMN1; SMN2 (0.74) MDM2ALDH1A1RAB9ANPC1CASP3
SCHEMBL31339958 0.84 RAB9A (0.60) MDM2ALDH1A1RAB9ANPC1CASP3
SCHEMBL4426818 0.84 RAB9A (0.60) MDM2ALDH1A1RAB9ANPC1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5047542-A Reaction of ketoester with unsaturated aldehyde or ketone HOECHST CELANESE CORPORATION (US) 1991-09-10 US claimed
US-4871859-A REACTING KETOESTER WITH UNSATURATED ALDEHYDE OR KETONE AND AMMONIUM SALT IN SOLVENT AND DEHYDROGENATION CATALYST HOECHST CELANESE CORPORATION 1989-10-03 US claimed
WO-1989008103-A1 PROCESS FOR PREPARING PYRIDINE CARBOXYLIC ACID ESTERS HOECHST CELANESE CORPORATION (US) 1989-09-08 WO claimed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
EP-1480954-B1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2008-12-03 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
US-6110910-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANTIRHEUMATIC AGENTS, ANTICARCINOGENIC AGENTS DUPONT PHARMACEUTICALS (US) 2000-08-29 US disclosed
US-5874441-A TREATMENT OF AUTOIMMUNE DISEASES, INFLAMMATION DUPONT PHARMACEUTICALS COMPANY (US) 1999-02-23 US disclosed
US-5639759-A ORGAN TRANSPLANTATION; AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS; SKIN DISORDERS; ANTIARTHRITIC AGENTS; ANTICANCER AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-17 US disclosed
EP-0716652-A1 CARBOCYCLIC AND HETEROCYCLIC FUSED-RING QUINOLINECARBOXYLIC ACIDS USEFUL AS IMMUNOSUPPRESSIVE AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-06-19 EP disclosed
US-5428040-A Carbocyclic fused-ring quinolinecarboxylic acids useful as immunosuppressive agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-27 US disclosed
WO-1995006640-A1 CARBOCYCLIC AND HETEROCYCLIC FUSED-RING QUINOLINECARBOXYLIC ACIDS USEFUL AS IMMUNOSUPPRESSIVE AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-03-09 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 MDM2 4677/4885ALDH1A1 2107/4885RAB9A 1477/4885

“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.