SCHEMBL16073046

SCHEMBL16073046

COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.64
▸ MAPT P10636 5/20 0.64
▸ RAB9A P51151 5/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ NPC1 O15118 4/20 0.64
▸ RECQL P46063 2/20 0.64
▸ NPSR1 Q6W5P4 2/20 0.64
▸ KDM4E B2RXH2 5/20 0.61
▸ LMNA P02545 5/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ HTT P42858 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ ADORA3 P0DMS8 1/20 0.60
▸ THRB P10828 1/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ GSTO1 P78417 1/20 0.56
▸ TP53 P04637 1/20 0.55
▸ CASP3 P42574 1/20 0.55

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
SCHEMBL16078325 0.90 MEN1 (0.62) MAPK1MAPTRAB9AMEN1KMT2A
SCHEMBL16073080 0.88 KDM4E (0.62) MAPK1MAPTRAB9AMEN1KMT2A
SCHEMBL17132004 0.85 MEN1 (0.54) MAPK1MAPTRAB9AMEN1KMT2A
SCHEMBL14551103 0.82 NPC1 (0.76) MAPK1MAPTRAB9AMEN1KMT2A
SCHEMBL22728474 0.82 MAPT (0.59) MAPK1MAPTRAB9AMEN1KMT2A
SCHEMBL22728480 0.81 MEN1 (0.59) MAPK1MAPTRAB9AMEN1KMT2A
SCHEMBL2753589 0.80 RAB9A (0.71) MAPK1MAPTRAB9AMEN1KMT2A
SCHEMBL31135053 0.80 USP2 (0.86) MAPK1MAPTRAB9AMEN1KMT2A
SCHEMBL235190 0.79 KDM4E (0.70) MAPK1MAPTRAB9AMEN1KMT2A
SCHEMBL12515352 0.79 RAB9A (0.58) MAPK1MAPTRAB9AMEN1KMT2A

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-9604946-B2 Methods for modulating bacterial virulence and related compounds THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-03-28 — — US disclosed
US-9604946-B2 Methods for modulating bacterial virulence and related compounds THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-03-28 — — US disclosed
US-20140275189-A1 Methods for Modulating Bacterial Virulence and Related Compounds THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-18 — — 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 (1 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-20140275189-A1 Methods for Modulating Bacterial Virulence and Related Compounds STAT1, MLEC, CGAS MAPK1 156/4885MAPT 4786/4885RAB9A 1509/4885

“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.

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