SCHEMBL5137730

SCHEMBL5137730

COC(=O)c1c(Cl)[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 1.00
ALOX5 P09917 7/20 0.62
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
KMT2A Q03164 2/20 0.57
HSD17B10 Q99714 2/20 0.57
KIF11 P52732 1/20 0.53
IDO1 P14902 1/20 0.53
PTPN1 P18031 1/20 0.53
CREBBP Q92793 1/20 0.49
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48

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
SCHEMBL8352535 0.84 NR4A2 (0.72) NR4A2ALOX5KDM4EMEN1ALDH1A1
SCHEMBL7653286 0.81 NR4A2 (0.68) NR4A2ALOX5KDM4EMEN1ALDH1A1
SCHEMBL6216675 0.81 NR4A2 (1.00) NR4A2ALOX5KDM4EMEN1ALDH1A1
SCHEMBL3275502 0.81 NR4A2 (0.71) NR4A2ALOX5KDM4EMEN1ALDH1A1
SCHEMBL31570758 0.81 NR4A2 (1.00) NR4A2ALOX5KDM4EMEN1ALDH1A1
SCHEMBL8504135 0.81 NR4A2 (0.68) NR4A2ALOX5KDM4EMEN1ALDH1A1
SCHEMBL9317997 0.80 NR4A2 (0.69) NR4A2ALOX5KDM4EMEN1ALDH1A1
SCHEMBL5438097 0.80 NR4A2 (0.69) NR4A2ALOX5KDM4EMEN1ALDH1A1
SCHEMBL15174192 0.80 NR4A2 (0.69) NR4A2ALOX5KDM4EMEN1ALDH1A1
SCHEMBL19410844 0.80 NR4A2 (0.69) NR4A2ALOX5KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
CN-103347874-A Dimeric iap inhibitors NOVARTIS AG 2013-10-09 CN disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 WO disclosed
EP-1912976-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-23 EP disclosed
WO-2007009906-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
US-5998409-A GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-12-07 US disclosed
EP-0630376-B1 CONDENSED INDOLE DERIVATIVES AS 5-HT4-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-02 EP disclosed
US-5852014-A Condensed indole derivatives as 5HT4 -receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 1998-12-22 US disclosed
EP-0630376-A1 CONDENSED INDOLE DERIVATIVES AS 5HT 4?-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-28 EP disclosed
WO-1993018036-A1 CONDENSED INDOLE DERIVATIVES AS 5HT4-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-09-16 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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 NR4A2 3995/4885ALOX5 4716/4885KDM4E 3847/4885

“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.