SCHEMBL6745833

SCHEMBL6745833

ONC(=NCl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
ALOX15 P16050 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
F12 P00748 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37

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
SCHEMBL134570 0.78 IDO1 (0.46) IDO1CA12CA1CA9ALOX15
SCHEMBL3942966 0.78 IDO1 (0.46) IDO1CA12CA1CA9ALOX15
SCHEMBL3560645 0.76 IDO1 (0.44) IDO1CA12CA1CA9ALOX15
SCHEMBL3069249 0.71 GAA (0.44) IDO1CA12CA1CA9ALOX15
SCHEMBL5763433 0.71 ATM (0.42) IDO1CA12CA1CA9ALOX15
SCHEMBL3069246 0.71 GAA (0.44) IDO1CA12CA1CA9ALOX15
SCHEMBL22134608 0.67 GLA (0.41) ALDH1A1MAPTF2F10F12
SCHEMBL16154143 0.67 CA12 (0.50) IDO1CA12CA1CA9ALOX15
Benzamidoxime SCHEMBL194059 0.67 HDAC8 (0.50) IDO1CA12CA1CA9ALOX15
SCHEMBL5352771 0.67 F2 (0.42) CA12CA1CA9HSD17B10ALDH1A1

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-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 IDO1 346/4885CA12 3842/4885CA1 3375/4885

“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.