SCHEMBL6326440

SCHEMBL6326440

COc1cc(-c2cc(CCNN3CCCCC3)ccn2)cc(OC)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
MCHR1 Q99705 1/20 0.34
FYN P06241 2/20 0.34
KCNH2 Q12809 1/20 0.34
PTGDR Q13258 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6326445 0.77 HCRTR1 (0.35) CRHBPCRHR2HCRTR1HCRTR2KCNH2
SCHEMBL4114573 0.74 DYRK1A (0.39) MEN1KMT2AHCRTR1HCRTR2SMN1; SMN2
SCHEMBL4115040 0.73 RECQL (0.47) POLBFYN
SCHEMBL4122248 0.71 PDE4D (0.45) ALDH1A1KDM4EMEN1KMT2AHCRTR1
SCHEMBL4120391 0.71 MEN1 (0.43) POLBMEN1KMT2AHCRTR1HCRTR2
SCHEMBL13800105 0.70 ACHE (0.42) MEN1KMT2AHCRTR1HCRTR2
Ethylene SCHEMBL4120382 0.70 PDE4D (0.43) ALDH1A1KDM4EMEN1KMT2AHCRTR1
Hydrochloric Acid SCHEMBL6167681 0.69 POLB (0.53) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL6167070 0.68 HCRTR1 (0.38) ALDH1A1KDM4EKMT2AHCRTR1HCRTR2
SCHEMBL13800272 0.68 PDE4D (0.47) ALDH1A1KMT2AHCRTR1HCRTR2

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 ALDH1A1 1788/4885KDM4E 446/4885GLA 1891/4885

“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.