SCHEMBL10132828

SCHEMBL10132828

COc1cc2c(NC(=O)c3c(Br)ccc(C)c3OC)cccc2c(-c2ccc(CCN3CCOCC3)cc2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.41
AVPR1B P47901 5/20 0.39
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.38
CNR1 P21554 1/20 0.38
POLB P06746 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 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
SCHEMBL10161833 0.94 ALDH1A1 (0.42) CNR2NPC1RAB9AALDH1A1AVPR1B
SCHEMBL10132830 0.85 CNR2 (0.41) CNR2ALDH1A1AVPR1BLMNACNR1
SCHEMBL10132642 0.82 SMO (0.43) SMN1; SMN2ALDH1A1KMT2ARXFP1LMNA
SCHEMBL10132694 0.81 PKM (0.42) SMN1; SMN2RXFP1LMNAPOLB
SCHEMBL13284135 0.80 TNKS (0.45) AVPR1B
SCHEMBL10163309 0.79 CNR2 (0.40) CNR2AVPR1BKMT2ACD274
SCHEMBL10132798 0.78 TUBB4A (0.41) SMN1; SMN2RAB9AALDH1A1KMT2ARXFP1
SCHEMBL10132814 0.77 MEN1 (0.47) ALDH1A1KMT2ALMNAPOLB
SCHEMBL10132656 0.76 TUBB4A (0.40) SMN1; SMN2RXFP1LMNAPOLB
SCHEMBL10132846 0.76 ABCB1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A

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 CNR2 2323/4885SMN1; SMN2 3202/4885NPC1 2668/4885

“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.