SCHEMBL5388162

SCHEMBL5388162

CCOc1ccc(C(O)c2ccncc2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 5/20 0.44
KMT2A Q03164 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 3/20 0.42
NQO1 P15559 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
LTA4H P09960 2/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
EGFR P00533 1/20 0.40
LCK P06239 1/20 0.40
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL4853429 0.82 IDO1 (0.38) L3MBTL1LMNAKMT2ANPSR1RAB9A
SCHEMBL6709441 0.79 L3MBTL1 (0.45) L3MBTL1LMNAKMT2ANPSR1RAB9A
SCHEMBL9114461 0.77 NQO1 (0.64) L3MBTL1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL5372933 0.75 L3MBTL1 (0.42) L3MBTL1LMNAKMT2ANPSR1RAB9A
Hydrochloric Acid SCHEMBL4851324 0.73 CA1 (0.47) KDM4EALDH1A1MAPTLCKTDP1
SCHEMBL5373105 0.72 MAPT (0.50) LMNAKMT2ANPSR1RAB9ASMN1; SMN2
SCHEMBL11420513 0.71 LTA4H (0.57) L3MBTL1LMNAKMT2ANQO1ALDH1A1
SCHEMBL19176387 0.70 CYP17A1 (0.37) L3MBTL1SMN1; SMN2LTA4HEGFRLCK
SCHEMBL1539286 0.70 L3MBTL1 (0.47) L3MBTL1LMNAKMT2ANPSR1RAB9A
SCHEMBL11603750 0.69 NQO1 (0.64) L3MBTL1KMT2ANQO1ALDH1A1NPC1

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-7271153-B2 Treating diseases associated with hyperglycemia such as diabetes; SGLT2 (sodium/glucose cotransporter 2) inhibitor; 3-(4-Ethylbenzyl)-2-(beta-D-glucopyranosyloxy)-4,6-dimethyl-pyridine for example KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-09-18 US disclosed
US-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-03-03 US disclosed
EP-1405859-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-04-07 EP 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-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor GPR119, NPR3, SLC5A2 L3MBTL1 3479/4885LMNA 2564/4885KMT2A 3588/4885

“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.