SCHEMBL423210

SCHEMBL423210

O=C(O)c1c(I)ccc2c1OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.44
SRD5A2 P31213 1/20 0.44
AOC3 Q16853 3/20 0.38
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL10163153 0.84 ALDH1A1 (0.40) ALDH1A1MAPK1SRD5A2AOC3TXNRD1
SCHEMBL9489186 0.80 ALDH1A1 (0.46) ALDH1A1MAPK1SRD5A2AOC3TXNRD1
SCHEMBL3275768 0.79 DPP4 (0.46) ALDH1A1MAPK1SRD5A2AOC3TXNRD1
SCHEMBL6996541 0.79 ALDH1A1 (0.44) ALDH1A1MAPK1SRD5A2AOC3TXNRD1
SCHEMBL423788 0.79 AOC3 (0.49) ALDH1A1MAPK1SRD5A2AOC3TXNRD1
SCHEMBL4493633 0.79 ALDH1A1 (0.44) ALDH1A1MAPK1SRD5A2AOC3TXNRD1
SCHEMBL232141 0.77 ALDH1A1 (0.43) ALDH1A1MAPK1SRD5A2AOC3TXNRD1
SCHEMBL9349254 0.75 ALDH1A1 (0.44) ALDH1A1MAPK1SRD5A2AOC3TXNRD1
SCHEMBL10749290 0.73 TXNRD1 (0.62) ALDH1A1MAPK1SRD5A2TXNRD1TXNRD3
SCHEMBL10431721 0.72 FOLH1 (0.49) ALDH1A1MAPK1SRD5A2CYP1A2CYP3A4

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-8741917-B2 Benzo [C] phenanthridines as antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-06-03 US disclosed
US-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUGTERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-26 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-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS CCNT1, XPO4, XDH ALDH1A1 3095/4885MAPK1 730/4885SRD5A2 2251/4885

“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.