SCHEMBL16014666

SCHEMBL16014666

Cn1nnnc1-c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
HSD17B10 Q99714 1/20 0.46
HSD11B1 P28845 1/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
ALPG P10696 1/20 0.44
NPC1 O15118 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.42
MITF O75030 1/20 0.41
KMO O15229 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL926356 0.89 LMNA (0.56) LMNAHSD17B10MAPTALDH1A1SMN1; SMN2
SCHEMBL4005594 0.83 LMNA (0.47) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL13225994 0.81 LMNA (0.47) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL1531360 0.81 KDM4E (0.49) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL1531265 0.78 LMNA (0.50) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL16014880 0.78 HSD17B10 (0.46) LMNAHSD17B10HSD11B1MAPTALDH1A1
SCHEMBL17359685 0.77 SMN1; SMN2 (0.50) HSD11B1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL13225993 0.76 LMNA (0.44) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL6356518 0.76 KMT2A (0.47) LMNAHSD17B10MAPTALDH1A1SMN1; SMN2
SCHEMBL1674067 0.76 PTGS2 (0.57) LMNAHSD17B10MAPTALDH1A1SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964633-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
EP-2964633-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US disclosed
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US disclosed
US-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US disclosed
US-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US disclosed
EP-2964633-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20150368228-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-24 US disclosed
US-20150368228-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-24 US disclosed
WO-2014135471-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
WO-2014135471-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 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-20170081312-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS LMNA 3703/4885HSD17B10 1495/4885HSD11B1 1351/4885
US-20150368228-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS LMNA 3703/4885HSD17B10 1495/4885HSD11B1 1351/4885

“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.