SCHEMBL5453950

SCHEMBL5453950

CSc1ccc(Nc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
HAO1 Q9UJM8 1/20 0.47
TSHR P16473 2/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 2/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
GAA P10253 4/20 0.45
MAPT P10636 4/20 0.45
ALOX15 P16050 1/20 0.45
FPR2 P25090 1/20 0.45

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
SCHEMBL27422 0.88 TSHR (0.60) PLK1SMN1; SMN2ALDH1A1HAO1TSHR
SCHEMBL27890905 0.86 TSHR (0.57) PLK1SMN1; SMN2ALDH1A1HAO1TSHR
SCHEMBL10871834 0.85 HPGD (0.55) PLK1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL251773 0.83 TSHR (0.67) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL2707464 0.82 HPGD (0.56) PLK1SMN1; SMN2ALDH1A1LMNAHAO1
SCHEMBL3640502 0.82 HAO1 (0.61) PLK1SMN1; SMN2ALDH1A1HAO1TSHR
SCHEMBL23918534 0.81 KDM1A (0.52) PLK1NPC1RAB9AALDH1A1LMNA
SCHEMBL8487719 0.78 PLK1 (0.50) PLK1SMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL2127792 0.78 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL5459443 0.78 AKR1C3 (0.64) SMN1; SMN2NPC1RAB9ATSHRAKR1C3

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 PLK1 4825/4885SMN1; SMN2 1787/4885NPC1 1832/4885
US-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA PLK1 1166/4885SMN1; SMN2 3996/4885NPC1 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.