SCHEMBL19251587

SCHEMBL19251587

CNC(=O)c1cncc(OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 13/20 0.62
SIRT3 Q9NTG7 10/20 0.62
SIRT1 Q96EB6 8/20 0.62
MRGPRX4 Q96LA9 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMPD1 P17405 1/20 0.52
HTT P42858 1/20 0.52
GFER P55789 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAOB P27338 1/20 0.51
RAB9A P51151 1/20 0.51
BRD4 O60885 1/20 0.51

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
SCHEMBL1202881 0.85 SIRT2 (0.59) SIRT2SIRT3SIRT1MEN1KMT2A
SCHEMBL1201866 0.84 MEN1 (0.70) SIRT2SIRT3SIRT1MEN1KMT2A
SCHEMBL30822583 0.84 MEN1 (0.70) SIRT2SIRT3SIRT1MEN1KMT2A
SCHEMBL2197204 0.83 MEN1 (0.68) SIRT2SIRT3SIRT1MEN1KMT2A
SCHEMBL27189439 0.82 MEN1 (0.56) SIRT2SIRT3SIRT1MEN1KMT2A
SCHEMBL13702365 0.82 SMPD1 (0.76) MRGPRX4MEN1KMT2ASMPD1HTT
SCHEMBL2197201 0.81 PTGER1 (0.59) SIRT2SIRT3SIRT1MEN1KMT2A
SCHEMBL20103304 0.80 CYP2C9 (0.57) SIRT2SIRT3SIRT1MEN1KMT2A
SCHEMBL1056460 0.80 MRGPRX4 (0.74) MRGPRX4MEN1KMT2AMAOBRAB9A
SCHEMBL20819388 0.80 MEN1 (0.54) SIRT2SIRT3SIRT1MEN1KMT2A

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-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B SIRT2 1495/4885SIRT3 1141/4885SIRT1 1060/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B SIRT2 1576/4885SIRT3 1193/4885SIRT1 1032/4885

“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.