SCHEMBL10163104

SCHEMBL10163104

COc1ccc(Br)c(C=O)c1OC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.57
PRKDC P78527 1/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A3 P47895 1/20 0.36
TSHR P16473 1/20 0.36
AMY1A P0DUB6 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL31663469 0.84 ERN1 (0.66) ERN1PRKDCMAPTCYP1A2ALDH1A1
SCHEMBL4374159 0.84 ERN1 (0.66) ERN1PRKDCMAPTCYP1A2ALDH1A1
SCHEMBL10132652 0.80 ERN1 (0.40) ERN1PRKDCMAPTCYP1A2CYP2C9
SCHEMBL4943871 0.79 ERN1 (0.59) ERN1PRKDCCYP1A2CYP2C19ALDH1A1
SCHEMBL10834671 0.78 ERN1 (0.58) ERN1PRKDCALDH1A1LMNAAMY1A
SCHEMBL2743917 0.77 ERN1 (0.57) ERN1PRKDCMAPTCYP1A2ALDH1A1
SCHEMBL21823620 0.77 ERN1 (0.57) ERN1PRKDCMAPTCYP1A2CYP2C19
SCHEMBL25286856 0.75 ERN1 (0.68) ERN1PRKDCMAPTALDH1A1SMN1; SMN2
SCHEMBL6060256 0.75 ALDH1A1 (0.44) ERN1PRKDCMAPTCYP1A2CYP2C9
SCHEMBL7864198 0.74 ERN1 (0.66) ERN1PRKDCMAPTALDH1A1SMN1; SMN2

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 3 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
WO-2010083436-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-07-22 WO 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 ERN1 2314/4885PRKDC 3947/4885MAPT 4875/4885

“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.