SCHEMBL1550144

SCHEMBL1550144

O=C(O)c1cc2cc(-c3ccncc3)ccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.65
MMP13 P45452 2/20 0.65
MMP14 P50281 2/20 0.65
SMAD3 P84022 1/20 0.57
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
F7 P08709 1/20 0.55
F3 P13726 1/20 0.55
PIN1 Q13526 1/20 0.55
PDPK1 O15530 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
APEX1 P27695 1/20 0.55
CYP2C19 P33261 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
IDO1 P14902 1/20 0.53
MAPT P10636 1/20 0.51

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
SCHEMBL30071175 0.88 KDM4E (0.51) MMP2MMP13MMP14SMAD3KDM4E
SCHEMBL20494235 0.88 KDM4E (0.51) MMP2MMP13MMP14SMAD3KDM4E
SCHEMBL22777743 0.85 KDM4E (0.66) SMAD3KDM4EHPGDHSD17B10F7
SCHEMBL3700465 0.85 KDM4E (0.66) SMAD3KDM4EHPGDHSD17B10F7
SCHEMBL20494483 0.83 KDM4E (0.76) SMAD3KDM4EHPGDHSD17B10F7
SCHEMBL3499567 0.83 F7 (0.76) SMAD3KDM4EHPGDHSD17B10F7
SCHEMBL15642601 0.82 MMP2 (0.68) MMP2MMP13MMP14SMAD3KDM4E
SCHEMBL6478522 0.81 SMAD3 (0.60) SMAD3KDM4EHPGDHSD17B10F7
SCHEMBL20267067 0.80 MMP2 (0.60) MMP2MMP13MMP14KDM4EALDH1A1
SCHEMBL1313998 0.80 MMP13 (0.59) MMP2MMP13MMP14

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
EP-2312947-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2014-01-01 EP disclosed
EP-2312947-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2014-01-01 EP disclosed
US-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 US disclosed
US-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 US disclosed
US-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 US disclosed
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 US disclosed
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 US disclosed
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 US disclosed
EP-2312947-A1 TRPV4 ANTAGONISTS GlaxoSmithKline LLC (US) 2011-04-27 EP disclosed
WO-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed
WO-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 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-20110130400-A1 TRPV4 ANTAGONISTS TRPV4, TRPV2, TRPV1 MMP2 3503/4885MMP13 3493/4885MMP14 3434/4885

“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.