SCHEMBL2396534

SCHEMBL2396534

CCc1c(C(=O)NN)ccc(OCc2ccccc2)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SGMS2 Q8NHU3 2/20 0.45
PTGER1 P34995 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NPC1 O15118 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
BRD4 O60885 1/20 0.43

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
SCHEMBL851497 0.87 L3MBTL1 (0.60) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL2965072 0.86 CHRM4 (0.48) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL2394509 0.86 MAPT (0.56) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL12310656 0.80 CNR1 (0.40) MAPTALDH1A1HDAC6SMPD1
SCHEMBL880181 0.79 MAPT (0.44) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL880178 0.77 MAPT (0.43) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL6519468 0.77 MAPT (0.43) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL6518890 0.77 MAPT (0.43) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL6518886 0.77 MAPT (0.43) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL22568217 0.76 NPC1 (0.56) MAPTL3MBTL1SMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492440-B2 Difluorophenyldiacylhydrazide derivatives MERCK PATENT GMBH (DE) 2013-07-23 US disclosed
US-20110224302-A1 DIFLUOROPHENYLDIACYLHYDRAZIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-15 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 (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-20110224302-A1 DIFLUOROPHENYLDIACYLHYDRAZIDE DERIVATIVES FGFR1, PKD1, AGTR1 MAPT 4485/4885TDP1 1922/4885L3MBTL1 669/4885

“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.