SCHEMBL3789666

SCHEMBL3789666

CC(=O)c1ccc(-c2ccccc2)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.56
HDAC1 Q13547 5/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC3 O15379 2/20 0.54
KDM4E B2RXH2 4/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HSP90AA1 P07900 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PPM1B O75688 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL3791264 0.87 PPM1B (0.50) IKBKBHDAC1HDAC2HDAC3KDM4E
SCHEMBL3794232 0.86 MCL1 (0.53) IKBKBHDAC1HDAC2HDAC3KDM4E
SCHEMBL31570070 0.85 IKBKB (0.71) IKBKBHDAC1HDAC2HDAC3KDM4E
SCHEMBL3792022 0.85 IKBKB (0.71) IKBKBHDAC1HDAC2HDAC3KDM4E
SCHEMBL30456877 0.85 PPM1B (0.71) IKBKBHDAC1HDAC2HDAC3KDM4E
SCHEMBL2575452 0.85 PPM1B (0.71) IKBKBHDAC1HDAC2HDAC3KDM4E
SCHEMBL3793566 0.83 IKBKB (0.73) IKBKBHDAC1HDAC2HDAC3KDM4E
SCHEMBL3793195 0.82 BRD4 (0.53) IKBKBHDAC1HDAC2HDAC3KDM4E
SCHEMBL14392234 0.81 IKBKB (0.56) IKBKBHDAC1HDAC2HDAC3KDM4E
SCHEMBL1317476 0.81 ALDH1A1 (0.61) IKBKBHDAC1HDAC2HDAC3KDM4E

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
CN-117946017-A Biphenyl triazole derivative and preparation method and application thereof 安徽医科大学 2024-04-30 CN claimed
CN-117946017-A Biphenyl triazole derivative and preparation method and application thereof 安徽医科大学 2024-04-30 CN disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-7304059-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2007-12-04 US disclosed
EP-0653421-B1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA (JP) 1997-01-15 EP disclosed
US-5552557-A Process for preparing 2-cyanoimidazole compounds by reaction of an amino ketone compound ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-09-03 US disclosed
EP-0653421-A1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA LTD. (JP) 1995-05-17 EP 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-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR88 IKBKB 3714/4885HDAC1 1067/4885HDAC2 1381/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 IKBKB 2611/4885HDAC1 1686/4885HDAC2 549/4885

“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.