SCHEMBL13701439

SCHEMBL13701439

COc1ccc(-c2nc(CCC(=O)c3ncccc3C)co2)cc1O[Rh]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
PTGS2 P35354 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FFAR1 O14842 2/20 0.33

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
SCHEMBL13701432 0.94 MAPT (0.39) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4269872 0.91 SMN1; SMN2 (0.42) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4284539 0.90 DHODH (0.40) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4278392 0.89 FPR2 (0.41) LMNAPKMMAPK1
SCHEMBL4276698 0.89 S1PR1 (0.42) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4273664 0.89 PDE4A (0.38) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4276071 0.89 MGAM (0.37) MAPTSMN1; SMN2PPARGPPARAGAA
SCHEMBL4276856 0.89 PDE4B (0.35) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4275217 0.89 PDE4B (0.39) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4271781 0.88 PARP1 (0.41) MAPTSMN1; SMN2NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46792-E1 Oxazole compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-04-17 US disclosed
US-20170216260-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-20170216260-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-8637559-B2 Oxazole compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-28 US disclosed
US-20090221586-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-09-03 US 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 (2 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-20170216260-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION PDE3B, PDE4A, PDE3A MAPT 4667/4885SMN1; SMN2 3069/4885NPC1 3899/4885
US-20090221586-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION PDE3B, PDE4A, PDE3A MAPT 4667/4885SMN1; SMN2 3069/4885NPC1 3899/4885

“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.