SCHEMBL10163153

SCHEMBL10163153

O=C(Cl)c1c(I)ccc2c1OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MAPK1 P28482 1/20 0.40
SRD5A2 P31213 1/20 0.39
AOC3 Q16853 2/20 0.37
PTGS2 P35354 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 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
SCHEMBL423210 0.84 ALDH1A1 (0.44) ALDH1A1MAPK1SRD5A2AOC3PTGS2
SCHEMBL12071539 0.79 AOC3 (0.47) ALDH1A1MAPK1SRD5A2AOC3TXNRD1
SCHEMBL9348938 0.76 RAB9A (0.39) ALDH1A1MAPK1SRD5A2AOC3PTGS2
SCHEMBL3275768 0.70 DPP4 (0.46) ALDH1A1MAPK1SRD5A2AOC3TXNRD1
SCHEMBL6182003 0.69 AOC3 (0.42) ALDH1A1MAPK1AOC3TXNRD1TXNRD3
SCHEMBL4491270 0.68 TXNRD1 (0.37) ALDH1A1MAPK1AOC3TXNRD1TXNRD3
SCHEMBL4499174 0.68 TXNRD1 (0.37) ALDH1A1AOC3TXNRD1TXNRD3TXNRD2
SCHEMBL27967472 0.68 AOC3 (0.50) ALDH1A1MAPK1SRD5A2AOC3TXNRD1
SCHEMBL13950616 0.68 SRD5A2 (0.41) ALDH1A1MAPK1SRD5A2AOC3TXNRD1
SCHEMBL341608 0.68 GSK3B (0.42) ALDH1A1MAPK1HPGDPOLBPKM

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.