SCHEMBL11976558

SCHEMBL11976558

Cc1ncc(-c2nc(-c3cnc(C)nc3)nc(-c3cnc(C)nc3)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDK2 Q15119 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL11976553 0.86 L3MBTL1 (0.45) L3MBTL1KDM4EMEN1NPC1ALDH1A1
SCHEMBL11976547 0.86 L3MBTL1 (0.45) L3MBTL1KDM4EMEN1NPC1ALDH1A1
SCHEMBL12628227 0.86 L3MBTL1 (0.68) L3MBTL1MEN1NPC1ALDH1A1MAPT
SCHEMBL11976573 0.83 L3MBTL1 (0.37) L3MBTL1CCR1CCR5CCR8KDM4E
SCHEMBL10021910 0.81 NPC1 (0.35) CCR1CCR5CCR8KDM4EMEN1
SCHEMBL15599294 0.78 NPC1 (0.37) CCR1CCR5CCR8KDM4EMEN1
SCHEMBL11996692 0.78 CYP2A6 (0.44) L3MBTL1CCR1CCR5CCR8NPC1
SCHEMBL12628237 0.76 MEN1 (0.52) L3MBTL1KDM4EMEN1NPC1ALDH1A1
SCHEMBL11976563 0.76 MEN1 (0.49) L3MBTL1KDM4EMEN1ALDH1A1TP53
SCHEMBL12267153 0.74 L3MBTL1 (0.55) L3MBTL1KDM4ENPC1ALDH1A1MAPT

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-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-16 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-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME HDAC10, EMG1, PRMT1 L3MBTL1 137/4885CCR1 73/4885CCR5 768/4885

“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.