SCHEMBL10161833

SCHEMBL10161833

COc1ccc(Br)c(C(=O)Nc2cccc3c(-c4ccc(CCN5CCOCC5)cc4)c(OC)c(OC)cc23)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.41
CNR2 P34972 1/20 0.41
MAPK14 Q16539 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
AVPR1B P47901 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
HTR2A P28223 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL10132828 0.94 CNR2 (0.41) ALDH1A1KMT2ACNR2RXFP1CD274
SCHEMBL10163309 0.84 CNR2 (0.40) KMT2ACNR2CD274AVPR1BHTR2A
SCHEMBL10161769 0.81 ABCB1 (0.44) KMT2ARXFP1KDM4EMAPTLMNA
SCHEMBL10163103 0.81 LMNA (0.43) RXFP1KDM4EMAPTHPGDLMNA
SCHEMBL13283974 0.80 SMN1; SMN2 (0.45) ALDH1A1KMT2ARXFP1KDM4EMAPT
SCHEMBL10163178 0.79 MAPT (0.42) ALDH1A1KMT2AMAPK14RXFP1KDM4E
SCHEMBL10132830 0.79 CNR2 (0.41) ALDH1A1CNR2AVPR1BLMNA
SCHEMBL13284135 0.77 TNKS (0.45) AVPR1BTSHR
SCHEMBL10163297 0.77 TUBB4A (0.42) ALDH1A1KMT2ARXFP1KDM4EMAPT
SCHEMBL10132826 0.77 ABCB1 (0.43) AVPR1BTSHRHTR2AGRM2

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 ALDH1A1 3095/4885KMT2A 2916/4885CNR2 2323/4885

“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.