SCHEMBL8919665

SCHEMBL8919665

O=C(Nc1ccc(Oc2ccc(N3CCN(Cc4ccccc4)C3=O)cc2)nc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.57
RAB9A P51151 2/20 0.53
GAA P10253 2/20 0.53
NPC1 O15118 1/20 0.53
TNF P01375 1/20 0.53
NOD1 Q9Y239 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HIF1A Q16665 2/20 0.50
EPAS1 Q99814 2/20 0.50
LIPE Q05469 4/20 0.49
EGLN1 Q9GZT9 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL8922880 0.87 HDAC1 (0.51) HDAC1MAPTSMN1; SMN2
SCHEMBL3030079 0.81 PRKAA2 (0.63) RAB9AGAANPC1TNFNOD1
SCHEMBL6179298 0.79 RAB9A (0.79) RAB9AGAANPC1TNFNOD1
SCHEMBL5181872 0.78 PRKAA2 (0.59) RAB9AGAANPC1TNFNOD1
SCHEMBL3016770 0.77 HIF1A (0.52) RAB9AGAANPC1TNFNOD1
SCHEMBL3142668 0.77 RAB9A (0.66) RAB9AGAANPC1TNFNOD1
SCHEMBL3133529 0.76 RAB9A (0.71) RAB9AGAANPC1TNFNOD1
SCHEMBL3134678 0.76 HDAC1 (0.46) HDAC1RAB9AGAANPC1TNF
SCHEMBL3147538 0.76 RAB9A (0.59) RAB9AGAANPC1TNFNOD1
SCHEMBL3138983 0.76 RAB9A (0.67) RAB9AGAANPC1TNFNOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 HDAC1 161/4885RAB9A 2782/4885GAA 4225/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 HDAC1 6/4885RAB9A 2323/4885GAA 3133/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 HDAC1 239/4885RAB9A 3123/4885GAA 3249/4885

“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.