SCHEMBL4440400

SCHEMBL4440400

O=C(O)C(=O)Nc1cccc(Oc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
GPR35 Q9HC97 1/20 0.53
EPHX2 P34913 2/20 0.51
FAAH O00519 1/20 0.51
HTT P42858 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MITF O75030 1/20 0.50
POLB P06746 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
SCHEMBL1241674 0.87 NPC1 (0.60) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL4292376 0.85 GPR35 (0.67) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL4006838 0.82 GPR35 (0.60) GPR35EPHX2FAAHKMT2AP2RX1
SCHEMBL13956786 0.78 EPHX1 (0.62) NPC1RAB9AHTTALDH1A1MAPK1
SCHEMBL2095975 0.78 ALDH1A1 (0.60) NPC1RAB9AEPHX2HTTALDH1A1
SCHEMBL16680407 0.78 EPHX2 (0.48) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL4002954 0.77 EPHX2 (0.47) GPR35EPHX2FAAHALDH1A1POLB
SCHEMBL29937987 0.77 NPC1 (0.54) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL30233381 0.77 ALDH1A1 (0.56) NPC1RAB9AEPHX2HTTALDH1A1
SCHEMBL12907085 0.77 P2RY1 (0.54) EPHX2FAAHALDH1A1POLBMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 US disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 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-20080249175-A1 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 NPC1 1483/4885RAB9A 3464/4885HDAC3 249/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 NPC1 1483/4885RAB9A 3464/4885HDAC3 249/4885

“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.