SCHEMBL5464443

SCHEMBL5464443

O=C(O)Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.57
RXRG P48443 7/20 0.57
RXRB P28702 6/20 0.57
PSEN1 P49768 1/20 0.56
PSEN2 P49810 1/20 0.56
APH1B Q8WW43 1/20 0.56
NCSTN Q92542 1/20 0.56
APH1A Q96BI3 1/20 0.56
PSENEN Q9NZ42 1/20 0.56
FFAR1 O14842 1/20 0.54
NR1H4 Q96RI1 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
EPHX2 P34913 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CYP2C9 P11712 1/20 0.48
NLRP3 Q96P20 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47

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
SCHEMBL267205 0.89 RXRA (0.68) RXRARXRGRXRBPSEN1PSEN2
Water SCHEMBL28015733 0.87 RXRA (0.66) RXRARXRGRXRBPSEN1PSEN2
Hydrochloric Acid SCHEMBL2528774 0.87 RXRA (0.66) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL2272003 0.84 RXRA (0.77) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL25973156 0.82 PSEN1 (0.56) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL31324165 0.82 SMN1; SMN2 (0.56) HDAC1HDAC8EPHX2L3MBTL1NLRP3
SCHEMBL5455400 0.80 GAA (0.59) FFAR1RAB9A
SCHEMBL8329343 0.79 LTA4H (0.60) RXRARXRGRXRBPSEN1PSEN2
Trifluoromethylbenzene SCHEMBL27770931 0.78 AKR1B1 (0.68) RXRARXRGRXRBPSEN1PSEN2
Toluene SCHEMBL28209101 0.78 RXRA (0.55) RXRARXRGRXRBPSEN1PSEN2

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 5 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
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 RXRA 2320/4885RXRG 2391/4885RXRB 2006/4885
US-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA RXRA 3949/4885RXRG 4468/4885RXRB 3974/4885

“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.