SCHEMBL130011

SCHEMBL130011

COc1c(Br)ccc(/C=C/[N+](=O)[O-])c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.59
FBP1 P09467 6/20 0.46
VCP P55072 4/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 4/20 0.41
MAPK1 P28482 3/20 0.41
HTT P42858 3/20 0.41
MITF O75030 1/20 0.41
HSP90AA1 P07900 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 2/20 0.40
ALOX12 P18054 1/20 0.40
NTSR1 P30989 1/20 0.40
CCR6 P51684 1/20 0.40
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GALR2 O43603 1/20 0.40
EGFR P00533 1/20 0.40
SYK P43405 1/20 0.40

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
SCHEMBL193398 1.00 PRMT1 (0.59) PRMT1FBP1VCPALDH1A1MAPT
SCHEMBL151935 1.00 PRMT1 (0.59) PRMT1FBP1VCPALDH1A1MAPT
SCHEMBL127767 0.83 PRMT1 (0.51) PRMT1FBP1VCPALDH1A1MAPT
SCHEMBL4501433 0.82 PRMT1 (0.74) PRMT1FBP1VCPALDH1A1MAPT
SCHEMBL14812451 0.82 PRMT1 (0.74) PRMT1FBP1VCPALDH1A1MAPT
SCHEMBL4501431 0.82 PRMT1 (0.74) PRMT1FBP1VCPALDH1A1MAPT
SCHEMBL34463115 0.76 PRMT1 (0.66) PRMT1FBP1VCPALDH1A1MAPT
SCHEMBL18524334 0.76 FBP1 (0.57) PRMT1FBP1VCPALDH1A1MAPT
SCHEMBL18524335 0.76 FBP1 (0.57) PRMT1FBP1VCPALDH1A1MAPT
SCHEMBL1011169 0.74 PRMT1 (1.00) PRMT1FBP1VCPALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 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 (2 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PRMT1 476/4885FBP1 871/4885VCP 4564/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PRMT1 460/4885FBP1 1188/4885VCP 4472/4885

“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.