SCHEMBL8920863

SCHEMBL8920863

Cc1cc(N2CCCN(Cc3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.43
RAB9A P51151 8/20 0.43
CASP3 P42574 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
SENP6 Q9GZR1 1/20 0.41
MAOB P27338 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
USP2 O75604 3/20 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
SCHEMBL14496720 0.90 HPGD (0.39) NPC1RAB9ACASP3SENP7POLB
SCHEMBL8919564 0.90 HDAC1 (0.41) NPC1RAB9AHPGDMAPTSMN1; SMN2
SCHEMBL8919704 0.89 ATM (0.41) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL3134678 0.85 HDAC1 (0.46) NPC1RAB9AHPGDMAPTSMN1; SMN2
SCHEMBL8922892 0.82 LMNA (0.41) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL3143373 0.81 LMNA (0.37) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL14496721 0.80 POLB (0.41) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL3036162 0.80 MEN1 (0.46) NPC1RAB9ACASP3SENP7POLB
SCHEMBL8919642 0.79 HDAC1 (0.43) NPC1RAB9APOLBHPGDMAPT
Bromide SCHEMBL3142384 0.78 HDAC1 (0.38) SMN1; SMN2ALDH1A1USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 NPC1 1397/4885RAB9A 2323/4885CASP3 505/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 NPC1 2588/4885RAB9A 3123/4885CASP3 904/4885

“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.