SCHEMBL6154441

SCHEMBL6154441

COc1cc(NC2CCN(Cc3ccccc3)CC2)c(C)cc1C#N

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.57
NSD2 O96028 5/20 0.55
EZH2 Q15910 1/20 0.53
BCHE P06276 1/20 0.51
BACE1 P56817 1/20 0.51
EHMT2 Q96KQ7 4/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL6154073 0.80 DRD4 (0.58) ACHEEZH2POLBTSHRDRD2
SCHEMBL8487979 0.78 ACHE (0.69) ACHENSD2EZH2BCHEBACE1
SCHEMBL9714210 0.78 ACHE (0.67) ACHEBCHEBACE1GAAALDH1A1
SCHEMBL6153702 0.76 KDM4E (0.65) ACHEBCHEBACE1GAAKDM4E
SCHEMBL7289451 0.74 KDM4E (0.70) ACHEBCHEBACE1POLBGAA
SCHEMBL6176132 0.73 KDM4E (0.65) ACHEBCHEBACE1GAAKDM4E
SCHEMBL6153323 0.73 SIGMAR1 (0.60) EZH2GAATSHRALDH1A1HSD17B10
SCHEMBL9785772 0.73 ACHE (0.71) ACHENSD2EZH2BCHEBACE1
SCHEMBL23744610 0.73 CHRM2 (0.70) SIGMAR1
SCHEMBL14180586 0.73 ACHE (0.57) ACHENSD2EZH2BCHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 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 (1 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 ACHE 3888/4885NSD2 2185/4885EZH2 1787/4885

“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.