SCHEMBL3976470

SCHEMBL3976470

COc1ccc(COc2cccc(-c3ccoc3C(=O)NN)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMPD1 P17405 3/20 0.39
PABPC1 P11940 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPT P10636 4/20 0.38
HTT P42858 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PKM P14618 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3974918 0.89 ESR1 (0.42) NPC1LMNAMEN1KMT2APABPC1
SCHEMBL3975306 0.82 SMPD1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL3977677 0.82 GCGR (0.57) ALDH1A1MEN1KMT2AMAPTKEAP1
SCHEMBL3977184 0.82 GPR132 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3978696 0.78 PTGER4 (0.44) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL3977706 0.77 TDP1 (0.41) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL3973274 0.75 NR1H4 (0.51) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL3978096 0.73 MEN1 (0.50) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL3975517 0.73 ALDH1A1 (0.42) ALDH1A1NPC1RAB9AKDM4EMAOB
SCHEMBL3978209 0.73 CA12 (0.39) NPC1RAB9ASMN1; SMN2KDM4EMEN1

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-7514452-B2 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD (JP) 2009-04-07 US disclosed
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-04 US disclosed
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 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-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same GLP1R, GCGR, GPR119 ALDH1A1 1389/4885NPC1 1584/4885RAB9A 2501/4885

“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.