SCHEMBL2996296

SCHEMBL2996296

Cn1ccc(=O)c2cc(N)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.56
BRPF1 P55201 2/20 0.43
DHFR P00374 1/20 0.41
EGFR P00533 1/20 0.41
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GFER P55789 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HBB P68871 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL24151235 0.79 PGR (0.42) PRKCIKDM4EMAPTALDH1A1TDP1
SCHEMBL30186396 0.78 KDM4E (0.44) KDM4EALDH1A1GAAMEN1HPGD
SCHEMBL16292269 0.78 LMNA (0.39) KDM4EALDH1A1MEN1HPGDHTT
SCHEMBL10627404 0.78 KDM4E (0.51) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL31337024 0.74 KDM4E (0.51) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL2990303 0.73 MAPT (0.53) KDM4EMAPTMEN1KMT2ACA12
SCHEMBL30006940 0.72 PRKCI (1.00) PRKCIBRPF1EGFRPIK3CBCYP2A6
SCHEMBL1809581 0.72 ALDH1A1 (0.59) KDM4EMAPTALDH1A1MEN1HPGD
SCHEMBL29576413 0.72 ALDH1A1 (0.59) KDM4EMAPTALDH1A1MEN1HPGD
SCHEMBL721707 0.72 PRKCI (1.00) PRKCIBRPF1EGFRPIK3CBCYP2A6

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-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds AUCKLAND UNISERVICES LIMITED 2010-07-08 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-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds BLVRB, POR, CBR3 PRKCI 4751/4885BRPF1 2641/4885DHFR 19/4885

“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.