SCHEMBL17829925

SCHEMBL17829925

Cc1c(-c2ccccc2)ccc(C(N)=O)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.56
IKBKB O14920 10/20 0.48
CHUK O15111 5/20 0.48
IKBKE Q14164 1/20 0.48
PKMYT1 Q99640 1/20 0.48
BRD4 O60885 2/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HDAC7 Q8WUI4 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL4849742 0.87 ALDH1A1 (0.51) BCAT2MEN1KMT2AKDM4EHDAC7
SCHEMBL3898825 0.87 BCAT2 (0.58) BCAT2IKBKBCHUKIKBKEPKMYT1
SCHEMBL29032707 0.85 BCAT2 (0.60) BCAT2IKBKBCHUKIKBKEPKMYT1
SCHEMBL18816701 0.83 BCAT2 (0.53) BCAT2IKBKBCHUKIKBKEPKMYT1
SCHEMBL27556187 0.82 BCAT2 (0.56) BCAT2IKBKBCHUKIKBKEPKMYT1
SCHEMBL27911586 0.81 BCAT2 (0.55) BCAT2IKBKBCHUKIKBKEPKMYT1
SCHEMBL18641956 0.80 IKBKB (0.52) BCAT2IKBKBBRD4MEN1KMT2A
SCHEMBL30034930 0.80 BCAT2 (0.69) BCAT2IKBKBBRD4MEN1KMT2A
SCHEMBL530285 0.80 BCAT2 (0.69) BCAT2IKBKBBRD4MEN1KMT2A
SCHEMBL27475690 0.79 BCAT2 (0.47) BCAT2IKBKBCHUKIKBKEPKMYT1

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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 BCAT2 958/4885IKBKB 87/4885CHUK 18/4885

“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.