SCHEMBL8922880

SCHEMBL8922880

O=C(Nc1ccc(Oc2ccc(N3CCN(Cc4ccccc4)C3=O)cc2)nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.51
KCNQ3 O43525 3/20 0.44
KCNQ2 O43526 3/20 0.44
KCNE1 P15382 3/20 0.44
KCNQ1 P51787 3/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
MET P08581 1/20 0.41

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
SCHEMBL8919665 0.87 HDAC1 (0.57) HDAC1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL3137931 0.84 NOD1 (0.47) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL3035668 0.81 PRKAA2 (0.58) KDM4EALDH1A1SMN1; SMN2
SCHEMBL7235460 0.80 KCNQ3 (0.63) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL6179046 0.79 KCNQ3 (0.58) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL3143111 0.77 PRKAA2 (0.50) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL3129054 0.77 PRKAA2 (0.51) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL3031846 0.77 MAPT (0.48) KMT2AKDM4EUSP2MAPTTSHR
SCHEMBL3137030 0.77 KCNQ3 (0.58) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL4717167 0.77 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1KMT2A

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 161/4885KCNQ3 1570/4885KCNQ2 1451/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 HDAC1 6/4885KCNQ3 4035/4885KCNQ2 3926/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 HDAC1 239/4885KCNQ3 3700/4885KCNQ2 3623/4885

“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.