SCHEMBL16832425

SCHEMBL16832425

COc1c(C)nc2ccccc2c1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
PDE10A Q9Y233 3/20 0.66
POLB P06746 2/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
DHODH Q02127 3/20 0.50
TP53 P04637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
CASP6 P55212 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL21940223 0.89 HSD17B10 (0.60) KMT2AMEN1PDE10APOLBTSHR
SCHEMBL20669688 0.88 MEN1 (0.55) KMT2AMEN1PDE10APOLBTSHR
SCHEMBL27693524 0.87 KMT2A (0.54) KMT2AMEN1PDE10APOLBTSHR
SCHEMBL21940597 0.85 MEN1 (0.52) KMT2AMEN1PDE10APOLBSMN1; SMN2
SCHEMBL11790525 0.83 PDE10A (0.60) KMT2AMEN1PDE10APOLBTSHR
SCHEMBL3959255 0.81 TACR3 (0.68) PDE10ATSHRDHODHTACR3LMNA
SCHEMBL353201 0.81 PDE10A (0.77) KMT2AMEN1PDE10ATSHRSMN1; SMN2
SCHEMBL29415444 0.81 PDE10A (0.77) KMT2AMEN1PDE10ATSHRSMN1; SMN2
SCHEMBL14399054 0.81 PDE10A (0.57) KMT2AMEN1PDE10APOLBTSHR
SCHEMBL394571 0.81 POLB (0.58) KMT2AMEN1PDE10APOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 US disclosed
EP-3083598-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 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-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 KMT2A 3367/4885MEN1 1015/4885PDE10A 1730/4885

“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.