SCHEMBL8924930

SCHEMBL8924930

Cc1ccc(N(C)C(=O)N(C)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 2/20 0.44
AKR1C3 P42330 1/20 0.44
FAAH O00519 1/20 0.44
PHGDH O43175 1/20 0.44
MGLL Q99685 1/20 0.44
GLA P06280 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL14134508 0.91 POLB (0.57) POLBKMT2AMEN1ALDH1A1RAB9A
SCHEMBL14134390 0.91 POLB (0.57) POLBKMT2AMEN1ALDH1A1RAB9A
SCHEMBL14134499 0.91 POLB (0.57) POLBKMT2AMEN1ALDH1A1RAB9A
SCHEMBL12550524 0.91 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL320116 0.89 POLB (0.59) POLBKMT2AMEN1ALDH1A1RAB9A
SCHEMBL11046065 0.83 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL21870620 0.82 HSD17B1 (0.54) POLBKMT2AMEN1ALDH1A1RAB9A
SCHEMBL28897183 0.82 POLB (0.49) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL14124746 0.81 POLB (0.52) POLBKMT2AALDH1A1SMN1; SMN2CA12
SCHEMBL14134501 0.81 POLB (0.52) POLBKMT2AALDH1A1SMN1; SMN2CA12

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 11 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-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
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO 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 POLB 4226/4885KMT2A 984/4885MEN1 1020/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 POLB 3851/4885KMT2A 1623/4885MEN1 1851/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 POLB 2808/4885KMT2A 2349/4885MEN1 3512/4885

“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.