SCHEMBL21385841

SCHEMBL21385841

O=C1C2=C(c3ccccc3)N(O)C(=O)C2=C(c2ccccc2)N1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.41
GLO1 Q04760 2/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
ERCC1 P07992 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
PDE4B Q07343 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL3876865 0.81 PTGS2 (0.44) IDH1GLO1MAPTLMNAHTT
SCHEMBL25028129 0.77 APP (0.40) MAPTTDP1ALDH1A1KDM4EPTGS2
SCHEMBL24148723 0.76 CTRB1 (0.50) GAATDP1ALDH1A1
SCHEMBL24148722 0.74
SCHEMBL28258765 0.74 P2RX7 (0.46) IDH1GLO1MAPTCCNT1CDK9
SCHEMBL5070001 0.73 NR1H2 (0.52) IDH1MAPTLMNAHTTGAA
SCHEMBL7489174 0.72 NR1H2 (0.40) IDH1MAPTLMNAHTTGAA
SCHEMBL5068959 0.71 MGLL (0.46) HTTGAAALDH1A1NR1H2NR1H3
SCHEMBL12725181 0.71 NR1H2 (0.50) IDH1MAPTALDH1A1NR1H2NR1H3
SCHEMBL5073360 0.71 NR1H2 (0.57) ALDH1A1NR1H2NR1H3

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-10424737-B2 Diketopyrrolopyrrole polymers as organic semiconductors BASF SE (DE) 2019-09-24 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-10424737-B2 Diketopyrrolopyrrole polymers as organic semiconductors PIN1, PPOX, DDT IDH1 1877/4885GLO1 3213/4885MAPT 1455/4885

“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.