SCHEMBL128022

SCHEMBL128022

Cc1nc(-c2cccc(-c3ccoc3)c2)cc2cc(CO)c(CO)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.39
FYN P06241 2/20 0.39
CHEK1 O14757 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAC1 P63000 4/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL128848 0.85 RAC1 (0.42) MEN1KMT2AMAPTTDP1RAC1
SCHEMBL128040 0.84 RAC1 (0.44) MEN1KMT2AMAPTRAC1KDM4E
SCHEMBL128853 0.80 AKR1C3 (0.43) PFKFB3FYNMEN1KMT2AMAPT
SCHEMBL195932 0.80 RAC1 (0.58) MEN1KMT2AMAPTTSHRMAPK1
SCHEMBL127673 0.78 RAC1 (0.40) MEN1KMT2AMAPTTSHRRAC1
SCHEMBL130141 0.77 CHEK1 (0.33) PFKFB3FYNCHEK1MEN1KMT2A
SCHEMBL128702 0.76 CHEK1 (0.32) PFKFB3FYNCHEK1MEN1KMT2A
SCHEMBL128999 0.76 CTSS (0.46) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL128707 0.70 SDHB (0.39) MAPTLMNACYP3A4RAC1KDM4E
SCHEMBL15349962 0.68 FYN (0.54) FYNLMNACYP1A2CYP3A4CYP2D6

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 3 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-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

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 PFKFB3 1509/4885FYN 3664/4885CHEK1 4360/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PFKFB3 1741/4885FYN 3402/4885CHEK1 4348/4885

“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.