SCHEMBL15313204

SCHEMBL15313204

N#Cc1c2cc(C3CC3)c([N+](=O)[O-])cc2nn1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.32
KDM1A O60341 1/20 0.32
MAPT P10636 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
GRM6 O15303 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 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
SCHEMBL15313276 0.81 MEN1 (0.40) PKMSMN1; SMN2MEN1KMT2A
SCHEMBL9108371 0.78
SCHEMBL15313220 0.76 NPC1 (0.48) VCAM1MAPK1TSHRMEN1KMT2A
SCHEMBL9105334 0.71 CHEK1 (0.39)
SCHEMBL4943018 0.71 CHEK1 (0.39)
SCHEMBL9108861 0.68
SCHEMBL20856579 0.66 MAPK1 (0.56) VCAM1L3MBTL1MAPK1LMNATSHR
SCHEMBL26629110 0.66 MAPK1 (0.61) VCAM1PKML3MBTL1MAPK1LMNA
SCHEMBL23320472 0.65 NPC1 (0.55) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL15312877 0.64 MAPT (0.34) PKMMAPK1LMNAMAPTMEN1

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
US-9447080-B2 Viral polymerase inhibitors BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2016-09-20 US disclosed
US-9120775-B2 Viral polymerase inhibitors BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2015-09-01 US disclosed
US-20150065445-A1 Viral Polymerase Inhibitors BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2015-03-05 US disclosed
US-20130274218-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-10-17 US disclosed
WO-2013152391-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-10-17 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 (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-20150065445-A1 Viral Polymerase Inhibitors POLR2E, POLM, POLR2H VCAM1 2113/4885PKM 3102/4885L3MBTL1 3977/4885
US-20130274218-A1 VIRAL POLYMERASE INHIBITORS POLR2E, POLM, POLR2H VCAM1 2113/4885PKM 3102/4885L3MBTL1 3977/4885

“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.