SCHEMBL6080877

SCHEMBL6080877

COC(=O)c1cc(O)c2c(N3CCNCC3)ccc(N)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NQO2 P16083 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RBP4 P02753 1/20 0.37
CHEK1 O14757 3/20 0.37
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
USP28 Q96RU2 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
SCHEMBL6079506 0.89 KDM4E (0.53) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL6596077 0.86 SMARCA2 (0.41) KDM4ESMARCA2SMARCA4PBRM1CHEK1
Hydrochloric Acid SCHEMBL6080310 0.85 SMARCA2 (0.40) KDM4ESMARCA2SMARCA4PBRM1CHEK1
SCHEMBL6079337 0.78 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL6080185 0.77 KDM4E (0.40) KDM4EMEN1KMT2ANQO2ALDH1A1
SCHEMBL6080542 0.76 NQO2 (0.46) KDM4ENQO2ALDH1A1MAPTHPGD
SCHEMBL6080136 0.76 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL6595426 0.75 GAA (0.49) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL6080435 0.74 GAA (0.48) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL6080466 0.71 EGFR (0.46) KDM4ESMN1; SMN2MEN1KMT2ANQO2

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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL KDM4E 1006/4885NPC1 1911/4885RAB9A 431/4885

“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.