SCHEMBL3976975

SCHEMBL3976975

NNC(=O)c1occc1-c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
MPO P05164 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK14 Q16539 1/20 0.44
P2RX7 Q99572 1/20 0.40
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4285451 0.83 MAPT (0.43) KDM4ETSHRALDH1A1MAPT
SCHEMBL12951730 0.83 NAMPT (0.47) KDM4ECYP1A2CYP3A4CYP2D6CYP2A6
SCHEMBL141046 0.82 MAPT (0.37) KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL3975038 0.81 MAPK14 (0.47) MAPK14CDC7DBF4CCNCCDK8
SCHEMBL5634176 0.80 MAPK14 (0.49) ADORA3MAPK14CDC7DBF4LMNA
SCHEMBL3977184 0.77 GPR132 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3982443 0.76 NPSR1 (0.43) KDM4ELMNATSHRALDH1A1MAPT
SCHEMBL3976519 0.75 NPC1 (0.44) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1255948 0.74 ALDH1A1 (0.52) MAPK14CDC7DBF4ALDH1A1HPGD
SCHEMBL3976137 0.74 GCGR (0.53) ALDH1A1MAPTHPGDHSD17B10

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 KDM4E 2769/4885ADORA3 334/4885MPO 1952/4885

“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.