SCHEMBL6419488

SCHEMBL6419488

COc1ccc(Br)c(CN(CCc2ccccc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LPAR1 Q92633 2/20 0.45
LPAR5 Q9H1C0 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALOX5 P09917 2/20 0.43
HTR1A P08908 1/20 0.43
SLC6A4 P31645 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
HPGD P15428 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
TSHR P16473 3/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL7514441 0.93 KDM4E (0.44) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL7514434 0.93 KDM4E (0.44) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6947777 0.88 KDM4E (0.48) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6944991 0.84 KDM4E (0.46) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4719084 0.83 SSTR4 (0.46) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL4717219 0.81 SSTR4 (0.38) KDM4EALDH1A1MEN1KMT2ASLC6A4
Methane SCHEMBL27480452 0.80 L3MBTL1 (0.42) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6418683 0.80 SSTR4 (0.39) ALDH1A1MEN1KMT2ALPAR1LPAR5
SCHEMBL6652570 0.80 HDAC1 (0.43) KDM4ELPAR1LPAR5TDP1L3MBTL1
SCHEMBL9823156 0.80 HDAC1 (0.54) MEN1KMT2ALPAR1LPAR5TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957917-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-12-07 EP disclosed
US-6825188-B2 MORE POTENT INHIBITORS OF THE VITRONECTIN RECEPTOR THAN THE FIBRINOGEN SMITHKLINE BEECHAM CORPORATION 2004-11-30 US disclosed
US-20040082559-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
CN-1114403-C Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2003-07-16 CN disclosed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 US disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 US disclosed
CN-1238689-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-12-15 CN disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 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 (3 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-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 KDM4E 4545/4885ALDH1A1 3956/4885CYP1A2 2551/4885
US-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST KDM4E 4199/4885ALDH1A1 2599/4885CYP1A2 4457/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 KDM4E 4545/4885ALDH1A1 3956/4885CYP1A2 2551/4885

“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.