SCHEMBL8974037

SCHEMBL8974037

C=C(N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)o3)cc2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
PRNP P04156 1/20 0.47
SLC9A1 P19634 5/20 0.42
KCNH2 Q12809 1/20 0.40
TOP2A P11388 3/20 0.38
TOP2B Q02880 3/20 0.38
TOP1 P11387 1/20 0.38
NQO2 P16083 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
PRMT1 Q99873 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10092622 0.91 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL8973986 0.89 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL11775657 0.84 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL11777699 0.84 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL7320779 0.83 SLC9A1 (0.60) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL11779113 0.83 KCNH2 (0.49) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL10092616 0.83 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL7352221 0.82 SLC9A1 (0.58) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL13167113 0.81 NQO2 (0.49) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL11777874 0.80 NQO2 (0.56) ALDH1A1HPGDHSD17B10KDM4ELMNA

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-8188121-B2 Substituted pyridines as antiparasitic AZA teraryl compounds THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 US disclosed
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS TIDWELL RICHARD R 2011-10-20 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-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS ALDH1A1 1910/4885HPGD 3434/4885HSD17B10 2417/4885

“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.