SCHEMBL5459434

SCHEMBL5459434

O=C(O)Cc1ccc(Nc2cccc(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PDE4B Q07343 3/20 0.52
PDE4D Q08499 2/20 0.52
FFAR1 O14842 4/20 0.48
HPGD P15428 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
SRC P12931 1/20 0.45
AKR1B1 P15121 1/20 0.44
SYK P43405 1/20 0.44
TYK2 P29597 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL5455400 0.83 GAA (0.59) MEN1KMT2ARAB9APDE4BPDE4D
SCHEMBL14505801 0.83 CYP3A4 (0.62) MEN1KMT2AFFAR1NR1H4TP53
SCHEMBL5466517 0.79 MEN1 (0.60) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL2468368 0.78 AKR1B1 (0.57) MEN1KMT2APDE4BNR1H4AKR1B1
SCHEMBL5466524 0.78 MTNR1B (0.63) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL1118619 0.77 MEN1 (0.68) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL31002670 0.77 MEN1 (0.68) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL13802510 0.77 PTGS1 (0.50) MEN1KMT2APDE4BPDE4DFFAR1
SCHEMBL7161764 0.76 CXCL8 (0.61) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL9113 0.76 AKR1B1 (0.58) FFAR1HPGDSRCAKR1B1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US claimed
EP-1687253-A2 DIPHENYLAMINE DERIVATIVES Merk Patent Gmbh (DE) 2006-08-09 EP claimed
WO-2005051888-A2 DIPHENYLAMINE DERIVATIVES MERK PATENT GMBH (DE) 2005-06-09 WO claimed
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US disclosed
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US disclosed
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 US disclosed
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 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-20070123586-A1 Nitroso derivatives of diphenylamine NOS3, CBR3, CBR1 MEN1 2301/4885KMT2A 2322/4885NPC1 1832/4885
US-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA MEN1 2829/4885KMT2A 3012/4885NPC1 955/4885

“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.