SCHEMBL503140

SCHEMBL503140

O=C(O)c1ccc(-c2cccc(-c3ccc(C(=O)O)cn3)c2)nc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.79
P4HA1 P13674 3/20 0.68
P4HTM Q9NXG6 2/20 0.68
HPGDS O60760 2/20 0.58
BAZ2B Q9UIF8 1/20 0.54
KMO O15229 2/20 0.53
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
MIF P14174 1/20 0.50
CHEK1 O14757 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 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
SCHEMBL31243316 0.95 LDHA (0.77) LDHAP4HA1P4HTMHPGDSBAZ2B
SCHEMBL22332190 0.90 P4HA1 (0.76) LDHAP4HA1P4HTMHPGDSBAZ2B
SCHEMBL6562815 0.90 LDHA (0.70) LDHAP4HA1P4HTMHPGDSBAZ2B
SCHEMBL505455 0.89 LDHA (1.00) LDHAP4HA1P4HTMHPGDSBAZ2B
SCHEMBL2560542 0.89 LDHA (0.68) LDHAP4HA1P4HTMHPGDSBAZ2B
SCHEMBL1543156 0.89 HPGDS (0.76) LDHAP4HA1P4HTMHPGDSBAZ2B
Hydrochloric Acid SCHEMBL18045639 0.87 LDHA (0.96) LDHAP4HA1P4HTMHPGDSBAZ2B
SCHEMBL5593121 0.86 LDHA (0.64) LDHAP4HA1P4HTMHPGDSCYP4F2
SCHEMBL2557229 0.86 LDHA (0.64) LDHAP4HA1P4HTMHPGDSBAZ2B
SCHEMBL2251685 0.85 LDHA (0.62) LDHAP4HA1P4HTMHPGDSSMN1; SMN2

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-8293898-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-10-23 US disclosed
US-8293898-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-10-23 US disclosed
US-8293898-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-10-23 US disclosed
US-20120157681-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2012-06-21 US disclosed
US-20120157681-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2012-06-21 US disclosed
US-20120157681-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2012-06-21 US disclosed
US-8106193-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-01-31 US disclosed
US-8106193-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-01-31 US disclosed
US-8106193-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-01-31 US disclosed
US-20100317851-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2010-12-16 US disclosed
US-20100317851-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2010-12-16 US disclosed
US-20100317851-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2010-12-16 US disclosed
EP-2207784-A1 LUMINOPHORES University of York (GB) 2010-07-21 EP disclosed
WO-2009040551-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2009-04-02 WO disclosed
WO-2009040551-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2009-04-02 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-20120157681-A1 LUMINOPHORES PPOX, CRY1, MPO LDHA 240/4885P4HA1 372/4885P4HTM 644/4885
US-20100317851-A1 LUMINOPHORES PPOX, CRY1, MPO LDHA 217/4885P4HA1 616/4885P4HTM 560/4885

“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.