SCHEMBL1750778

SCHEMBL1750778

COc1cc(CNC(=O)Cc2ccccc2)c(CC(=O)O)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.71
MEN1 O00255 4/20 0.71
NPC1 O15118 2/20 0.71
RAB9A P51151 1/20 0.71
POLB P06746 2/20 0.61
ALDH1A1 P00352 2/20 0.57
CYP3A4 P08684 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL1751022 0.91 KMT2A (0.69) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL1801128 0.82 NPC1 (0.80) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL13982684 0.79 KDM4E (0.56) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6396043 0.79 KMT2A (0.71) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL6392561 0.78 NPC1 (0.70) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL11742509 0.77 HTR2A (0.61) KMT2AMEN1POLBALDH1A1CYP3A4
SCHEMBL16109698 0.77 HSD17B10 (0.61) POLBALDH1A1CYP3A4TDP1HPGD
SCHEMBL12218241 0.76 POLB (1.00) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL28465013 0.76 NPC1 (0.81) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL2925120 0.73 TRPV1 (0.70) KMT2AMEN1NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968735-B2 Light-emitting biomarker QUIDD (FR) 2011-06-28 US disclosed
US-7968735-B2 Light-emitting biomarker QUIDD (FR) 2011-06-28 US disclosed
US-7968735-B2 Light-emitting biomarker QUIDD (FR) 2011-06-28 US disclosed
US-20090041669-A1 Light-Emitting Biomarker QUIDD (FR) 2009-02-12 US disclosed
US-20090041669-A1 Light-Emitting Biomarker QUIDD (FR) 2009-02-12 US disclosed
US-20090041669-A1 Light-Emitting Biomarker QUIDD (FR) 2009-02-12 US disclosed
EP-1883635-A2 LIGHT-EMITTING BIOMARKER Quidd (FR) 2008-02-06 EP disclosed
WO-2006129036-A2 LIGHT-EMITTING BIOMARKER QUIDD (FR) 2006-12-07 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-20090041669-A1 Light-Emitting Biomarker ALDH1A2, CYP19A1, GUSB KMT2A 3231/4885MEN1 2465/4885NPC1 3751/4885

“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.