SCHEMBL5459443

SCHEMBL5459443

CC(=O)c1ccc(Nc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 8/20 0.64
▸ AKR1C2 P52895 8/20 0.64
▸ NPC1 O15118 5/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ MAPT P10636 4/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.55
▸ TP53 P04637 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HTT P42858 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MAPK13 O15264 1/20 0.50
▸ MAPK12 P53778 1/20 0.50
▸ MAPK11 Q15759 1/20 0.50
▸ MAPK14 Q16539 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GFER P55789 1/20 0.49

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
SCHEMBL6906973 0.91 RAB9A (0.60) AKR1C3AKR1C2NPC1RAB9ASMN1; SMN2
SCHEMBL251773 0.89 TSHR (0.67) AKR1C3AKR1C2NPC1RAB9ASMN1; SMN2
SCHEMBL1930247 0.87 MAPT (0.71) AKR1C3AKR1C2NPC1RAB9ASMN1; SMN2
SCHEMBL9478869 0.87 MAPT (0.71) AKR1C3AKR1C2NPC1RAB9ASMN1; SMN2
SCHEMBL18516810 0.87 NPC1 (0.68) AKR1C3AKR1C2NPC1RAB9ASMN1; SMN2
SCHEMBL17212282 0.87 NPC1 (0.68) AKR1C3AKR1C2NPC1RAB9ASMN1; SMN2
SCHEMBL211540 0.86 TSHR (0.71) RAB9ASMN1; SMN2MAPTTP53TSHR
SCHEMBL5460527 0.84 AKR1C3 (0.67) AKR1C3AKR1C2NPC1RAB9ASMN1; SMN2
Barium SCHEMBL31268595 0.84 TSHR (0.67) RAB9ASMN1; SMN2MAPTTP53TSHR
Calcium SCHEMBL31268578 0.84 TSHR (0.67) RAB9ASMN1; SMN2MAPTTP53TSHR

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 AKR1C3 52/4885AKR1C2 193/4885NPC1 1832/4885
US-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA AKR1C3 211/4885AKR1C2 418/4885NPC1 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.

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