SCHEMBL4500618

SCHEMBL4500618

COc1ccc(-c2nc3c(C)cc(Br)cc3n2C)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD11B1 P28845 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
PDE2A O00408 2/20 0.35
PDE10A Q9Y233 2/20 0.35
MCHR1 Q99705 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CDC7 O00311 1/20 0.34

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
SCHEMBL4495086 0.81 CRHR1 (0.49) CRHR1
SCHEMBL24265447 0.71 SHMT2 (0.49) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL29399202 0.71 SHMT2 (0.49) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL1624507 0.69 AGPAT2 (0.49) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4477901 0.69 CRHR1 (0.50) CRHR1
SCHEMBL24265931 0.68 SHMT2 (0.47) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL29399503 0.68 SHMT2 (0.47) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL25105335 0.67 NQO2 (0.41) CRHR1NPC1ALDH1A1MAPTRAB9A
SCHEMBL30899936 0.67 SHMT2 (0.50) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL12325069 0.66 HSP90AA1 (0.56) CRHR1HSP90AA1HSP90AB1ALDH1A1MAPT

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-20090281120-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
EP-1961745-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 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-20090281120-A1 BICYCLIC HETEROCYCLIC COMPOUND CRHR1, NR3C1, CNR1 CRHR1 1/4885HSP90AA1 2768/4885HSP90AB1 2683/4885

“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.