SCHEMBL10163308

SCHEMBL10163308

COc1cc2c(N=O)cccc2c(-c2ccc(CCN3CCOCC3)cc2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
KDR P35968 1/20 0.40
GSK3B P49841 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
HTT P42858 1/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
AVPR1B P47901 5/20 0.39
TNIK Q9UKE5 1/20 0.39
HTR2A P28223 1/20 0.39
GRM2 Q14416 1/20 0.39
SMPD1 P17405 1/20 0.39

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
SCHEMBL13284135 0.86 TNKS (0.45) ABCB1BRD4CREBBPCYP2D6TSHR
SCHEMBL10132826 0.85 ABCB1 (0.43) ABCB1BRD4CREBBPCYP2D6TSHR
SCHEMBL10132824 0.83 CHEK1 (0.44) ABCB1BRD4CREBBPCYP2D6TSHR
SCHEMBL10161833 0.76 ALDH1A1 (0.42) TSHRAVPR1BHTR2AGRM2
SCHEMBL10163662 0.76 RXFP1 (0.40) BRD4CREBBPTSHRTLR9TLR8
SCHEMBL10163309 0.76 CNR2 (0.40) ABCB1HTTAVPR1BHTR2AGRM2
SCHEMBL10132828 0.75 CNR2 (0.41) AVPR1B
SCHEMBL10162996 0.75 L3MBTL1 (0.33) KDRSYK
SCHEMBL10132830 0.74 CNR2 (0.41) AVPR1B
SCHEMBL13284185 0.74 TLR9 (0.39) ABCB1BRD4CREBBPCYP2D6TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ABCB1 52/4885BRD4 241/4885CREBBP 2794/4885

“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.