SCHEMBL4067917

SCHEMBL4067917

Fc1ccccc1-c1cccc2ncccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
TGFBR1 P36897 1/20 0.50
ERN1 O75460 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.44
GRM4 Q14833 1/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA2A P29274 1/20 0.44
P2RX7 Q99572 1/20 0.43
ACVR1 Q04771 2/20 0.43

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
SCHEMBL27288809 0.91 TGFBR1 (0.58) KDM4ETGFBR1NPC1MAPTGRM4
SCHEMBL198641 0.86 MAPT (0.64) KDM4EERN1MAPTCA12CA1
SCHEMBL17177705 0.85 TGFBR1 (0.58) KDM4ETGFBR1ERN1NPC1MAPT
SCHEMBL7918743 0.84 MAPT (0.56) KDM4ETGFBR1NPC1MAPTCA12
SCHEMBL4073675 0.83 CYP11B2 (0.51) KDM4ETGFBR1ERN1MAPTCA12
SCHEMBL2265617 0.82 KDM4E (0.58) KDM4EERN1MAPTLMNACYP3A4
SCHEMBL30129911 0.82 KDM4E (0.58) KDM4EERN1MAPTLMNACYP3A4
SCHEMBL22015704 0.81 CYP3A4 (0.62) KDM4ENPC1MAPTCA12CA1
SCHEMBL15849388 0.80 GRM2 (0.50) KDM4EERN1MAPTCA12CA1
SCHEMBL12382123 0.80 BMP4 (0.48) KDM4ETGFBR1ERN1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
EP-1596860-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-27 EP disclosed
US-20060211727-A1 Novel compounds GLAXOSMITHKLINE LLC 2006-09-21 US disclosed
CN-1774247-A Novel compounds SMITHKLINE BEECHAM CORP (US) 2006-05-17 CN disclosed
EP-1596860-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-11-23 EP disclosed
WO-2004073628-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 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 (2 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-20090239897-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, MAPK1 KDM4E 3591/4885TGFBR1 3432/4885ERN1 831/4885
US-20060211727-A1 Novel compounds MAPKAPK2, CREBBP, MAPK1 KDM4E 3591/4885TGFBR1 3432/4885ERN1 831/4885

“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.