SCHEMBL6079984

SCHEMBL6079984

Cc1c(C(=O)O)nc2c(N)ccc(N3CCNCC3)c2c1O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.36
HDAC2 Q92769 6/20 0.36
HDAC1 Q13547 5/20 0.36
ADRB1 P08588 3/20 0.35
NCF1 P14598 2/20 0.35
ADRB2 P07550 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
HTR6 P50406 3/20 0.34
KDM4E B2RXH2 1/20 0.34
IKBKB O14920 1/20 0.34
USP28 Q96RU2 1/20 0.33
USP25 Q9UHP3 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33

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
SCHEMBL6079511 0.88 GAA (0.44) KDM4EPIM1PIM3
SCHEMBL6081216 0.80 IKBKB (0.36) HDAC3HDAC2HDAC1ADRB1NCF1
SCHEMBL6596077 0.77 SMARCA2 (0.41) HDAC3HDAC2HDAC1NCF1SMARCA2
SCHEMBL6079344 0.77 HTR6 (0.47) ADRB1NCF1ADRB2HTR6KDM4E
SCHEMBL6080544 0.76 KDM4E (0.34) KDM4E
Hydrochloric Acid SCHEMBL6080310 0.76 SMARCA2 (0.40) HDAC3HDAC2HDAC1NCF1SMARCA2
SCHEMBL6080082 0.75 KDM4E (0.43) HDAC3ADRB1HTR6KDM4EIKBKB
SCHEMBL6080877 0.71 KDM4E (0.40) HDAC3HDAC2HDAC1SMARCA2SMARCA4
SCHEMBL6080473 0.71 PIN1 (0.38) KDM4EIKBKB
SCHEMBL6080736 0.68 PIK3CD (0.31)

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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
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 HDAC3 2114/4885HDAC2 2732/4885HDAC1 3094/4885

“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.