SCHEMBL15940490

SCHEMBL15940490

O=C(O)Nc1ccc(Cl)nc1I

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.35
POLB P06746 1/20 0.33
S1PR2 O95136 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
P2RX7 Q99572 1/20 0.33
KDR P35968 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
MDM4 O15151 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL3645280 0.85 ALDH1A1 (0.38) KMT2AGAAMEN1ALDH1A1HTT
SCHEMBL3708261 0.79 KMT2A (0.37) KMT2AGAAMEN1ALDH1A1POLB
SCHEMBL26098394 0.79 ALDH1A1 (0.37) KMT2AGAAMEN1ALDH1A1S1PR2
SCHEMBL15951249 0.77 ATR (0.43) KMT2AP2RX7
SCHEMBL1538399 0.75 KMT2A (0.35) KMT2AGAAMEN1ALDH1A1S1PR2
SCHEMBL3707609 0.74 MAPT (0.47) KMT2AMEN1ALDH1A1HTTPOLB
SCHEMBL22715433 0.73 KMT2A (0.39) KMT2AGAAMEN1ALDH1A1HTT
SCHEMBL30456291 0.70 GRM5 (0.36) KMT2AGAAMEN1ALDH1A1HTT
SCHEMBL22715961 0.70 XPO1 (0.35) KMT2AGAAMEN1ALDH1A1
SCHEMBL12750400 0.70 KCNQ3 (0.54) KMT2AGAAMEN1ALDH1A1POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953461-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2020-04-22 EP disclosed
US-9493461-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-20150368246-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2015-12-24 US disclosed
EP-2953461-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C Merck Sharp & Dohme Corp. (US) 2015-12-16 EP disclosed
WO-2014123794-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-08-14 WO disclosed
WO-2014121417-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-08-14 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-20150368246-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C HCCS, HAVCR2, CYP7A1 KMT2A 3820/4885GAA 870/4885MEN1 4525/4885

“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.