SCHEMBL4156420

SCHEMBL4156420

O=C(c1[c]ccc(-c2ccncn2)c1)N1Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
NAMPT P43490 4/20 0.39
CYP46A1 Q9Y6A2 3/20 0.39
SCD O00767 2/20 0.38
SCD5 Q86SK9 2/20 0.38
GPR142 Q7Z601 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HSP90B1 P14625 1/20 0.37
TRAP1 Q12931 1/20 0.37
VNN1 O95497 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
GAA P10253 1/20 0.36
P2RX7 Q99572 1/20 0.36
GSK3B P49841 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL4155064 0.78 TRAP1 (0.55) HDAC1HDAC2HSP90AA1HSP90AB1HSP90B1
SCHEMBL4160380 0.72 HSP90AA1 (0.46) NAMPTHSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL13117451 0.67 PRMT5 (0.58) HDAC1HDAC2HSP90B1TRAP1
SCHEMBL6033529 0.65 HSP90AA1 (0.39) HDAC1HDAC2HSP90AA1CAMKK2GSK3B
SCHEMBL19813866 0.65 CAMKK2 (0.36) HDAC1HDAC2CAMKK2GSK3BPIK3CD
SCHEMBL19304618 0.62 HPGD (0.46) NAMPTHSP90AA1HSP90AB1GAA
SCHEMBL1938417 0.62 KMO (0.62)
SCHEMBL1938421 0.62 KMO (0.60)
SCHEMBL6202952 0.62 GSK3B (0.40) HDAC1HDAC2NAMPTP2RX7GSK3B
SCHEMBL940865 0.61 KMO (0.57) CAMKK2

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-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 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-20090215742-A1 AMIDE RESORCINOL COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P HDAC1 176/4885HDAC2 303/4885NAMPT 843/4885

“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.