SCHEMBL6320232

SCHEMBL6320232

COc1cc(-c2ncccc2CN2CCC(Nc3cccc(SC)c3)CC2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 3/20 0.41
BACE1 P56817 3/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
BCHE P06276 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SSTR5 P35346 5/20 0.39
MLNR O43193 1/20 0.38
ALPL P05186 2/20 0.38
ALPI P09923 2/20 0.38
ALPG P10696 2/20 0.38
TP53 P04637 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4120483 0.84 ACHE (0.47) KDM4ELMNAACHEBACE1UBE2M
SCHEMBL5683742 0.79 MEN1 (0.49) KDM4EBCHETP53ALDH1A1
SCHEMBL5683863 0.76 MEN1 (0.46) KDM4EBCHETP53ALDH1A1
SCHEMBL6322190 0.75 NEK2 (0.49) KDM4ELMNAHTTSMN1; SMN2ALPL
SCHEMBL13800282 0.73 HCRTR1 (0.34) KDM4ELMNAACHEBACE1BCHE
Hydrochloric Acid SCHEMBL4116596 0.73 HCRTR1 (0.34) KDM4ELMNAACHEBACE1BCHE
SCHEMBL6319797 0.72 ALDH1A1 (0.57) KDM4ESMN1; SMN2TP53ALDH1A1
Hydrochloric Acid SCHEMBL6319376 0.72 ACHE (0.55) ACHEBACE1BCHE
SCHEMBL4123414 0.72 ACHE (0.56) ACHEBACE1UBE2MDCUN1D1BCHE
Hydrochloric Acid SCHEMBL6326446 0.70 ALDH1A1 (0.38) LMNAACHEBACE1BCHESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176764-A1 Medicine for treating cancer KOWA CO., LTD (JP) 2005-08-11 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 (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-20050176764-A1 Medicine for treating cancer HDAC4, HDAC3, NR4A3 KDM4E 446/4885LMNA 2246/4885ACHE 4596/4885

“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.