SCHEMBL2402899

SCHEMBL2402899

O=[N+]([O-])c1ccc(Cl)cc1-c1nc2c(F)cccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 4/20 0.43
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
HPGD P15428 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.39
IDO1 P14902 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 3/20 0.39
APEX1 P27695 1/20 0.39
F2RL3 Q96RI0 1/20 0.37

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
SCHEMBL3043855 0.80 MAPT (0.61) MAPTKMT2ALMNAMAPK1L3MBTL1
SCHEMBL2503092 0.75 MAPK1 (0.49) MAPTKMT2ALMNAMAPK1L3MBTL1
SCHEMBL1918191 0.74 F7 (0.48) MAPTKMT2ALMNAMAPK1TDP1
SCHEMBL27735806 0.72 MAPK1 (0.51) MAPTKMT2ALMNAMAPK1L3MBTL1
SCHEMBL3043863 0.70 NPC1 (0.61) MAPTKMT2ALMNAMAPK1L3MBTL1
SCHEMBL3038438 0.70 MMP2 (0.52) MAPTKMT2ALMNAMAPK1L3MBTL1
SCHEMBL11516745 0.69 MAPK1 (0.69) MAPTKMT2ALMNAMAPK1L3MBTL1
SCHEMBL5834795 0.69 RAB9A (0.45) MAPTKMT2ALMNAL3MBTL1RAB9A
SCHEMBL2688368 0.69 MEN1 (0.43) MAPTKMT2ALMNAHTTRAB9A
SCHEMBL10590299 0.68 AGPAT2 (0.50) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2

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
EP-2542545-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE Merck Sharp & Dohme Corp. (US) 2013-01-09 EP disclosed
US-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. 2012-12-27 US disclosed
WO-2011106992-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 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-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE HCCS, EIF2AK2, RNGTT MAPT 4226/4885KMT2A 3920/4885LMNA 3978/4885

“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.