SCHEMBL195376

SCHEMBL195376

COc1cc2cc(-c3cc(O)c(OC)c(OC)c3)nc(C)c2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 4/20 0.69
KDM4E B2RXH2 5/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
GAA P10253 4/20 0.58
POLB P06746 2/20 0.58
MAPT P10636 3/20 0.57
ALDH1A1 P00352 3/20 0.52
PDE1A P54750 2/20 0.41
PDE1B Q01064 2/20 0.41
PDE3B Q13370 2/20 0.41
PDE1C Q14123 2/20 0.41
PDE3A Q14432 2/20 0.41
PDE5A O76074 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL127791 0.86 RAC1 (0.52) RAC1KDM4EMEN1KMT2ANPC1
SCHEMBL9985556 0.83 RAC1 (0.48) RAC1KDM4EMEN1KMT2ANPC1
SCHEMBL13334166 0.82 RAC1 (1.00) RAC1KDM4EMEN1KMT2ANPC1
SCHEMBL3321436 0.82 RAC1 (0.84) RAC1KDM4EMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL3318470 0.81 RAC1 (0.85) RAC1KDM4EMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL3318735 0.81 RAC1 (1.00) RAC1KDM4EMEN1KMT2ANPC1
SCHEMBL14930629 0.79 RAC1 (0.60) RAC1KDM4EMEN1KMT2ANPC1
SCHEMBL194817 0.78 KDM4E (0.59) RAC1KDM4EMEN1KMT2ANPC1
SCHEMBL7822956 0.78 KDM4E (0.83) RAC1KDM4EMEN1KMT2ANPC1
SCHEMBL14927116 0.77 RAC1 (0.42) RAC1KDM4EGAAMAPTALDH1A1

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 5 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 RAC1 356/4885KDM4E 2572/4885MEN1 1251/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L RAC1 331/4885KDM4E 2001/4885MEN1 623/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L RAC1 254/4885KDM4E 1992/4885MEN1 580/4885

“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.