SCHEMBL2302222

SCHEMBL2302222

COc1cc(F)c(F)cc1CC(=O)NN

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
CTSD P07339 1/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 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
SCHEMBL2399645 0.81 MTNR1A (0.49) CYP3A4MTNR1AMTNR1B
SCHEMBL2305820 0.80 HSD17B10 (0.57) CYP3A4MTNR1AMTNR1BTSHR
SCHEMBL2826592 0.76 HSD17B10 (0.67) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL4405092 0.76 HSD17B10 (0.46) CTSDMEN1TSHRKMT2A
SCHEMBL6868625 0.76 MEN1 (0.63) MEN1TSHRKMT2A
SCHEMBL17730692 0.75 HTT (0.50) SMN1; SMN2KMT2A
SCHEMBL23619807 0.75 ALDH1A1 (0.42) SMN1; SMN2
SCHEMBL31116543 0.74 DPP4 (0.48) CYP3A4MTNR1AMTNR1BSMN1; SMN2MEN1
SCHEMBL29907950 0.73 GAA (0.64) SMN1; SMN2CTSDMEN1TSHRKMT2A
SCHEMBL2826584 0.73 GAA (0.64) SMN1; SMN2CTSDMEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349983-B1 DIFLUORPHENYL DIACYLHYDRAZIDE DERIVATES MERCK PATENT GMBH (DE) 2016-09-14 EP disclosed
EP-2349983-B1 DIFLUORPHENYL DIACYLHYDRAZIDE DERIVATES MERCK PATENT GMBH (DE) 2016-09-14 EP disclosed
US-8492440-B2 Difluorophenyldiacylhydrazide derivatives MERCK PATENT GMBH (DE) 2013-07-23 US disclosed
US-8492440-B2 Difluorophenyldiacylhydrazide derivatives MERCK PATENT GMBH (DE) 2013-07-23 US disclosed
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
US-20110224302-A1 DIFLUOROPHENYLDIACYLHYDRAZIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-15 US disclosed
US-20110224302-A1 DIFLUOROPHENYLDIACYLHYDRAZIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-15 US disclosed
EP-2349983-A2 DIFLUORPHENYL DIACYLHYDRAZIDE DERIVATES Merck Patent GmbH (DE) 2011-08-03 EP disclosed
WO-2010060522-A2 DIFLUORPHENYL DIACYLHYDRAZIDE DERIVATES MERCK PATENT GMBH (DE) 2010-06-03 WO disclosed
WO-2010060522-A2 DIFLUORPHENYL DIACYLHYDRAZIDE DERIVATES MERCK PATENT GMBH (DE) 2010-06-03 WO 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 CYP3A4 2246/4885MTNR1A 1836/4885MTNR1B 1144/4885

“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.