SCHEMBL2341198

SCHEMBL2341198

O=c1nc(NCc2ccccc2O)cc[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 6/20 0.54
HPGD P15428 3/20 0.54
CA12 O43570 5/20 0.50
CA2 P00918 5/20 0.50
CA9 Q16790 4/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
PKM P14618 1/20 0.49
HIF1A Q16665 2/20 0.46
TSHR P16473 2/20 0.46
CYP2D6 P10635 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 4/20 0.44

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
SCHEMBL15641907 0.78 ALDH1A1 (0.43) HSD17B10NPSR1ALDH1A1TSHRCYP2D6
SCHEMBL248683 0.77 ELANE (0.50) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL236001 0.74 ALDH1A1 (0.33) ALDH1A1POLB
SCHEMBL26779179 0.74 GAA (0.46) NPSR1ALDH1A1HPGDSMN1; SMN2PKM
SCHEMBL20850459 0.74 CA12 (0.67) HSD17B10NPSR1ALDH1A1HPGDCA12
SCHEMBL2045329 0.73 NPSR1 (0.68) HSD17B10NPSR1ALDH1A1HPGDCA12
SCHEMBL2041332 0.73 NPSR1 (0.68) HSD17B10NPSR1ALDH1A1HPGDCA12
SCHEMBL2460687 0.72 NPC1 (0.57) HSD17B10ALDH1A1HPGDNPC1RAB9A
SCHEMBL3680113 0.71 POLB (0.41) ALDH1A1RAB9ASMN1; SMN2PKMCYP2D6
SCHEMBL2045132 0.71 ALDH1A1 (0.60) HSD17B10NPSR1ALDH1A1HPGDCA12

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-8623627-B2 Labelling of fusion proteins with synthetic probes NEW ENGLAND BIOLABS, INC (US) 2014-01-07 US disclosed
US-20130130291-A1 Labelling of Fusion Proteins with Synthetic Probes ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2013-05-23 US disclosed
EP-2049499-B1 LABELLING OF FUSION PROTEINS WITH SYNTHETIC PROBES EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2012-10-31 EP disclosed
US-20120237961-A1 Labelling of Fusion Proteins with Synthetic Probes GAUTIER ARNAUD (CH) 2012-09-20 US disclosed
US-8227602-B2 Labelling of fusion proteins with synthetic probes ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2012-07-24 US disclosed
US-20110207157-A1 Labelling of Fusion Proteins With Synthetic Probes ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2011-08-25 US disclosed
EP-2049499-A1 LABELLING OF FUSION PROTEINS WITH SYNTHETIC PROBES EPFL Ecole Polytechnique Fédérale de Lausanne (CH) 2009-04-22 EP disclosed
WO-2008012296-A1 LABELLING OF FUSION PROTEINS WITH SYNTHETIC PROBES EPFL - ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2008-01-31 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-20110207157-A1 Labelling of Fusion Proteins With Synthetic Probes GART, ALKBH2, ATIC HSD17B10 2999/4885NPSR1 4034/4885ALDH1A1 1692/4885

“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.