SCHEMBL16946151

SCHEMBL16946151

Cc1cnc2c(c1)OC(C(C)C)C(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B2 P37059 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL16941383 0.84 BRD4 (0.39) BRD4LMNAGAAMEN1ALDH1A1
SCHEMBL15596530 0.84 BRD4 (0.39) BRD4LMNAGAAMEN1ALDH1A1
SCHEMBL15595028 0.77 GCK (0.38) BRD4LMNAGAAKDM4E
SCHEMBL15596523 0.75 GSK3B (0.44) BRD4LMNAGAAMEN1ALDH1A1
SCHEMBL3293755 0.73 BRD4 (0.60) BRD4LMNAGAAMEN1ALDH1A1
SCHEMBL16946149 0.71 SMYD3 (0.36) BRD4MEN1KMT2AHSD17B2
SCHEMBL4969089 0.70 BRD4 (0.52) BRD4GAAMEN1ALDH1A1KMT2A
SCHEMBL4968331 0.67 BRD4 (0.44) BRD4LMNAGAAMEN1ALDH1A1
SCHEMBL4967583 0.67 BRD4 (0.44) BRD4LMNAGAAMEN1ALDH1A1
SCHEMBL4967580 0.67 BRD4 (0.44) BRD4LMNAGAAMEN1ALDH1A1

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
EP-2882739-B1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-05-03 EP disclosed
US-9315522-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2016-04-19 US disclosed
US-9296760-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2016-03-29 US disclosed
US-20150225424-A1 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2015-08-13 US disclosed
US-20150210719-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND US (IE) 2015-07-30 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-20150210719-A1 ANTIBACTERIAL COMPOUNDS FAR1, GAA, ECI1 BRD4 1924/4885LMNA 3299/4885GAA 2/4885
US-20150225424-A1 Antibacterial compounds FAR1, GAA, ECI1 BRD4 1924/4885LMNA 3299/4885GAA 2/4885

“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.