SCHEMBL150075

SCHEMBL150075

COc1ccc(CC#N)c(Br)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA4 P22748 4/20 0.40
CA6 P23280 4/20 0.40
AOC3 Q16853 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
APOBEC3A P31941 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
PTPN1 P18031 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6234576 0.84 AOC3 (0.49) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL31681740 0.81 BCHE (0.46) KDM4ETSHR
SCHEMBL10648349 0.81 AOC3 (0.39) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL9786028 0.81 AOC3 (0.39) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL6356440 0.79 AOC3 (0.38) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL27856838 0.78 CA2 (0.44) CA1CA2CA4CA6AOC3
SCHEMBL7273837 0.78 SLC2A1 (0.42) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL8536580 0.77 CA1 (0.44) CA1CA2CA4CA6AOC3
SCHEMBL31614246 0.77 HTR2A (0.40) CA1CA2CA4CHRM2KDM4E
SCHEMBL7274049 0.77 AOC3 (0.36) AOC3SMN1; SMN2POLBCYP1A2CHRM2

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 14 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-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 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-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 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-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 WO disclosed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 WO disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO disclosed
US-20070142399-A1 Dual function drugs and uses thereof PSYCHIATRIC GENOMICS, INC. (US) 2007-06-21 US disclosed
US-20070142399-A1 Dual function drugs and uses thereof PSYCHIATRIC GENOMICS, INC. (US) 2007-06-21 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 (4 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 CA1 4698/4885CA2 3868/4885CA4 4049/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CA1 3802/4885CA2 1379/4885CA4 413/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CA1 4003/4885CA2 1626/4885CA4 667/4885
US-20070142399-A1 Dual function drugs and uses thereof COMT, DRD2, SLC6A3 CA1 2533/4885CA2 3784/4885CA4 4323/4885

“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.