SCHEMBL127673

SCHEMBL127673

Cc1nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc2cc(CO)c(CO)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 4/20 0.40
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
KDM4E B2RXH2 4/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
GAA P10253 1/20 0.36
DHODH Q02127 1/20 0.35
PTGS1 P23219 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
ADORA3 P0DMS8 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 0.93 RAC1 (0.42) RAC1PDCD1CD274KMT2AMEN1
SCHEMBL128040 0.92 RAC1 (0.44) RAC1PDCD1CD274KMT2AMEN1
SCHEMBL14926980 0.83 ACHE (0.40) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL14926972 0.82 ESR1 (0.39) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL128807 0.81 RAC1 (0.46) RAC1PDCD1CD274KMT2AMEN1
SCHEMBL14926977 0.80 SQOR (0.40) KMT2AMEN1ALDH1A1POLBADORA1
SCHEMBL128022 0.78 PFKFB3 (0.39) RAC1KMT2AMEN1KDM4EMAPT
SCHEMBL14926981 0.78 ADORA3 (0.49) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL128999 0.78 CTSS (0.46) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL14926975 0.76 ADORA3 (0.43) KMT2AMEN1KDM4EALDH1A1TSHR

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 RAC1 331/4885PDCD1 4544/4885CD274 4209/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L RAC1 254/4885PDCD1 4541/4885CD274 4203/4885

“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.