SCHEMBL5377686

SCHEMBL5377686

COc1ccc(Cc2nccnc2OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49
ABCB1 P08183 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
PDE10A Q9Y233 2/20 0.46
BCHE P06276 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAOB P27338 1/20 0.45
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 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
SCHEMBL4854533 0.85 TP53 (0.42) LTA4HALDH1A1LMNAHTTKMT2A
SCHEMBL1571379 0.81 LTA4H (0.46) LTA4HALDH1A1LMNAHTTNPSR1
Ammonia Solution, Strong SCHEMBL29153964 0.78 PDE3B (0.58) LTA4HALDH1A1LMNAMEN1KMT2A
SCHEMBL13412435 0.77 SMN1; SMN2 (0.53) ALDH1A1LMNACNR1CNR2RAB9A
SCHEMBL791985 0.74 MAOB (0.69) LTA4HLMNAABCB1MEN1KMT2A
SCHEMBL20406588 0.74 FFAR1 (0.46) LTA4HNPSR1ABCB1MEN1KMT2A
SCHEMBL24215198 0.74 L3MBTL1 (0.53) LTA4HALDH1A1LMNAHTTCNR1
SCHEMBL570480 0.74 LTA4H (1.00) LTA4HHTTMEN1KMT2ARAB9A
SCHEMBL19527337 0.73 NPC1 (0.57) ALDH1A1LMNAHTTNPSR1CNR1
SCHEMBL2636714 0.72 NPC1 (0.54) ALDH1A1HTTCNR1CNR2RAB9A

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 LTA4H 1091/4885ALDH1A1 2064/4885LMNA 2564/4885

“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.