SCHEMBL6326445

SCHEMBL6326445

COc1cc(-c2cc(CN(C)N3CCCCC3)ccn2)cc(OC)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.35
HCRTR2 O43614 6/20 0.35
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
USP2 O75604 1/20 0.32
KCNH2 Q12809 1/20 0.32
PARP1 P09874 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31
RXFP1 Q9HBX9 2/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
WNK1 Q9H4A3 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL6326440 0.77 ALDH1A1 (0.38) HCRTR1HCRTR2CRHBPCRHR2KCNH2
SCHEMBL13800109 0.76 HRH3 (0.42) HCRTR1HCRTR2WNK1HRH3
SCHEMBL4114573 0.75 DYRK1A (0.39) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL4116101 0.75 HRH3 (0.41) HCRTR1HCRTR2HRH3
SCHEMBL4115040 0.74 RECQL (0.47)
SCHEMBL4122248 0.72 PDE4D (0.45) HCRTR1HCRTR2PARP1WNK1HRH3
SCHEMBL13800105 0.71 ACHE (0.42) HCRTR1HCRTR2WNK1
SCHEMBL13800275 0.70 HCRTR1 (0.44) HCRTR1HCRTR2
Ethylene SCHEMBL4120382 0.70 PDE4D (0.43) HCRTR1HCRTR2PARP1WNK1HRH3
Hydrochloric Acid SCHEMBL6167681 0.70 POLB (0.53)

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 HCRTR1 235/4885HCRTR2 342/4885CRHBP 1949/4885

“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.