SCHEMBL12490815

SCHEMBL12490815

O=C(Nc1ccc(-c2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1)[C@@H]1CCCN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ MAPT P10636 3/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ SCN3A Q9NY46 3/20 0.51
▸ SCN9A Q15858 2/20 0.51
▸ NAMPT P43490 1/20 0.46
▸ JAK2 O60674 2/20 0.43
▸ PDGFRB P09619 2/20 0.43
▸ FLT3 P36888 2/20 0.43
▸ IKBKB O14920 2/20 0.43
▸ AAK1 Q2M2I8 2/20 0.43
▸ KIT P10721 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43

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
SCHEMBL12489110 0.91 SCN3A (0.59) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL14828738 0.91 SCN3A (0.59) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8520214 0.84 NAMPT (0.62) MEN1KMT2AMAPTPOLBSCN3A
SCHEMBL621278 0.84 NAMPT (0.62) MEN1KMT2AMAPTPOLBSCN3A
SCHEMBL27549576 0.84 NAMPT (0.62) MEN1KMT2AMAPTPOLBSCN3A
Hydrochloric Acid SCHEMBL29398644 0.83 NAMPT (0.61) MEN1KMT2AMAPTPOLBSCN3A
Bromide SCHEMBL11445369 0.83 NAMPT (0.61) MEN1KMT2AMAPTPOLBSCN3A
SCHEMBL14664008 0.79 KMT2A (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL2194148 0.78 SCN3A (0.46) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL2193908 0.78 SCN3A (0.46) MEN1KMT2AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 — — US disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 — — US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 — — US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 — — US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 — — US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 — — US disclosed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 — — 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 MEN1 4812/4885KMT2A 3866/4885MAPT 2725/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 MEN1 4812/4885KMT2A 3866/4885MAPT 2725/4885

“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.

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