SCHEMBL8919642

SCHEMBL8919642

COc1ccc(CN2CCCN(c3ccc(Oc4ccc(NC(=O)c5ccc(C(F)(F)F)cc5)cn4)c(C)c3)C2=O)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAF1 P04049 1/20 0.40
AKR1C3 P42330 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
MCHR1 Q99705 2/20 0.39
USP2 O75604 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL8919564 0.89 HDAC1 (0.41) HDAC1RAB9AL3MBTL1NPC1TNF
SCHEMBL8919704 0.89 ATM (0.41) HDAC1RAB9ANPC1MAPTGAA
SCHEMBL14496721 0.88 POLB (0.41) RAB9ANPC1MAPTUSP2LMNA
SCHEMBL3138729 0.85 MCHR1 (0.39) HDAC1GAAHTR2AHTR2CHTR2B
SCHEMBL3134678 0.85 HDAC1 (0.46) HDAC1RAB9AL3MBTL1NPC1TNF
SCHEMBL3035931 0.83 RAB9A (0.47) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL8914383 0.83 ALDH1A1 (0.39) RAB9AMAPTUSP2LMNAPOLB
SCHEMBL8922892 0.82 LMNA (0.41) RAB9ANPC1MAPTGAAMAPK1
SCHEMBL3142846 0.80 SMN1; SMN2 (0.38) MAPTTDP1HTR2AHTR2CHTR2B
SCHEMBL8920863 0.79 NPC1 (0.43) RAB9ANPC1MAPTGAAMAPK1

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 2782/4885L3MBTL1 502/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 HDAC1 6/4885RAB9A 2323/4885L3MBTL1 533/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 HDAC1 239/4885RAB9A 3123/4885L3MBTL1 1465/4885

“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.