SCHEMBL8937895

SCHEMBL8937895

CNc1ccc(Oc2ccc(N3CCCN(c4ccc(C(=O)O)cc4)C3=O)cc2C)nc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.40
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.36
HTR2C P28335 11/20 0.36
HTR2B P41595 10/20 0.36
HTR2A P28223 6/20 0.35
MTOR P42345 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
P2RX3 P56373 1/20 0.34

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
SCHEMBL3035931 0.77 RAB9A (0.47) NPC1SMN1; SMN2HTR2CHTR2BHTR2A
SCHEMBL3142997 0.73 HTR2C (0.40) METNPC1HTR2CHTR2BHTR2A
SCHEMBL8919704 0.70 ATM (0.41) METALDH1A1NPC1SMN1; SMN2ATM
SCHEMBL8919642 0.70 HDAC1 (0.43) ALDH1A1NPC1SMN1; SMN2HTR2CHTR2B
SCHEMBL14496721 0.69 POLB (0.41) METALDH1A1NPC1SMN1; SMN2HTT
SCHEMBL4251390 0.67 MRGPRX4 (0.50) MAPT
SCHEMBL31305906 0.67 MCHR1 (0.55) NPC1HTR2CRAB9A
SCHEMBL1290831 0.67 MCHR1 (0.55) NPC1HTR2CRAB9A
SCHEMBL4065167 0.67 SLC6A2 (0.49) HTR2CHTR2BHTR2A
SCHEMBL1290605 0.66 MEN1 (0.57) NPC1RAB9A

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 5 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-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-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 MET 1084/4885ALDH1A1 565/4885NPC1 1029/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MET 548/4885ALDH1A1 265/4885NPC1 1397/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MET 853/4885ALDH1A1 475/4885NPC1 2588/4885

“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.