SCHEMBL8919704

SCHEMBL8919704

COc1ccc(CN2CCCN(c3ccc(Oc4ccc(NC(=O)c5ccc(Cl)c(Cl)c5)cn4)c(C)c3)C2=O)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
USP2 O75604 5/20 0.40
POLB P06746 5/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CCR3 P51677 1/20 0.39
HPGD P15428 1/20 0.39
MET P08581 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL8920863 0.89 NPC1 (0.43) USP2POLBNPC1MEN1RAB9A
SCHEMBL14496721 0.89 POLB (0.41) ATMUSP2POLBNPC1MEN1
SCHEMBL8919642 0.89 HDAC1 (0.43) USP2POLBNPC1RAB9ASMN1; SMN2
SCHEMBL8914383 0.84 ALDH1A1 (0.39) USP2POLBMEN1RAB9AKMT2A
SCHEMBL3142846 0.80 SMN1; SMN2 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL14496720 0.80 HPGD (0.39) USP2POLBNPC1MEN1RAB9A
SCHEMBL8919564 0.79 HDAC1 (0.41) USP2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3142997 0.78 HTR2C (0.40) NPC1RAB9AMETHTR2AHTR2C
SCHEMBL8922880 0.76 HDAC1 (0.51) USP2MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3134678 0.74 HDAC1 (0.46) USP2NPC1RAB9ASMN1; SMN2LMNA

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 ATM 3174/4885USP2 4342/4885POLB 4226/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ATM 4463/4885USP2 3740/4885POLB 3851/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ATM 2673/4885USP2 4330/4885POLB 2808/4885

“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.