SCHEMBL5462008

SCHEMBL5462008

COc1ccc(Nc2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.77
POLB P06746 1/20 0.77
HTT P42858 1/20 0.59
MAPT P10636 3/20 0.59
RAB9A P51151 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
NPC1 O15118 2/20 0.59
GAA P10253 1/20 0.59
THRB P10828 1/20 0.59
MAPK1 P28482 1/20 0.59
RECQL P46063 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
PTGS1 P23219 1/20 0.58
AKR1C3 P42330 1/20 0.58
AKR1C2 P52895 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.56
LDHA P00338 1/20 0.54

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
SCHEMBL240822 0.89 KDM4E (0.74) KDM4EPOLBHTTMAPTRAB9A
Dimethylamine SCHEMBL1630099 0.87 KDM4E (0.73) KDM4EPOLBHTTMAPTRAB9A
SCHEMBL27952524 0.87 KDM4E (0.72) KDM4EPOLBHTTMAPTRAB9A
Hydrogen Sulfide SCHEMBL29062416 0.87 KDM4E (0.72) KDM4EPOLBHTTMAPTRAB9A
Hydrochloric Acid SCHEMBL2022863 0.87 KDM4E (0.72) KDM4EPOLBHTTMAPTRAB9A
SCHEMBL31324194 0.86 ALDH1A1 (0.63) KDM4EPOLBHTTMAPTRAB9A
SCHEMBL5454790 0.85 FFAR1 (0.74) KDM4EPOLBHTTMAPTRAB9A
SCHEMBL5466524 0.85 MTNR1B (0.63) KDM4EPOLBMAPTRAB9AL3MBTL1
SCHEMBL4217510 0.84 KDM4E (0.68) KDM4EPOLBHTTNPC1GAA
SCHEMBL9468432 0.84 KDM4E (0.68) KDM4EPOLBHTTMAPTRAB9A

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 KDM4E 2077/4885POLB 1562/4885HTT 2775/4885
US-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA KDM4E 1039/4885POLB 2878/4885HTT 4098/4885

“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.