SCHEMBL5455532

SCHEMBL5455532

Cc1cccc(Nc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.67
AKR1C3 P42330 3/20 0.58
AKR1C2 P52895 3/20 0.58
MAPK14 Q16539 2/20 0.53
RORC P51449 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 3/20 0.53
MAPT P10636 3/20 0.53
NPC1 O15118 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GFER P55789 1/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HSD17B10 Q99714 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
RAB9A P51151 1/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50

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
SCHEMBL9853268 0.86 NPSR1 (0.61) NPSR1AKR1C3AKR1C2GAAMAPT
SCHEMBL5608097 0.86 AKR1C3 (0.62) NPSR1AKR1C3AKR1C2SMN1; SMN2GAA
SCHEMBL19866508 0.83 NPSR1 (0.95) NPSR1SMN1; SMN2GAAMAPTNPC1
SCHEMBL30145137 0.83 NPSR1 (0.86) NPSR1GAAMAPTMEN1KMT2A
SCHEMBL10523964 0.83 NPSR1 (0.86) NPSR1GAAMAPTMEN1KMT2A
SCHEMBL1922070 0.83 NPSR1 (0.86) NPSR1GAAMAPTMEN1KMT2A
SCHEMBL13280136 0.83 AKR1C3 (0.65) NPSR1AKR1C3AKR1C2SMN1; SMN2GAA
Diphenylamine SCHEMBL28581119 0.82 SMN1; SMN2 (0.68) AKR1C3MAPK14SMN1; SMN2GAAMAPT
SCHEMBL8461683 0.81 MEN1 (0.73) SMN1; SMN2MAPTNPC1KDM4EMEN1
SCHEMBL2127792 0.81 SMN1; SMN2 (0.74) AKR1C3AKR1C2SMN1; SMN2GAAMAPT

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 NPSR1 659/4885AKR1C3 52/4885AKR1C2 193/4885
US-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA NPSR1 2583/4885AKR1C3 211/4885AKR1C2 418/4885

“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.