SCHEMBL1820545

SCHEMBL1820545

N#Cc1cc[c]c(-c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.46
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KCNJ1 P48048 2/20 0.40
KCNH2 Q12809 2/20 0.40
RAD51 Q06609 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
APP P05067 1/20 0.38
PGR P06401 2/20 0.37
ALDH1A1 P00352 3/20 0.36
THRB P10828 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
LMNA P02545 2/20 0.35

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
SCHEMBL3277951 0.84 APP (0.44) MAPTNPC1APPALDH1A1CA12
SCHEMBL9639665 0.81 VCAM1 (0.42) VCAM1KCNJ1KCNH2RAD51ABCG2
SCHEMBL9739115 0.80 MMP3 (0.42) PGRALDH1A1CA12CA1CA2
SCHEMBL14880632 0.76 HSPB1 (0.42) MEN1KMT2AMAPTAPPALDH1A1
SCHEMBL3798737 0.76 ALDH1A1 (0.50) MEN1KMT2AMAPTAPPALDH1A1
SCHEMBL5858235 0.76 ACHE (0.50) MEN1KMT2AMAPTNPC1APP
SCHEMBL5925388 0.76 ALDH1A1 (0.44) MEN1KMT2AMAPTNPC1PKM
SCHEMBL15818998 0.76 MAOA (0.39) MAPTALDH1A1LMNAHPGD
SCHEMBL7194431 0.76 ALDH1A1 (0.47) ALDH1A1
SCHEMBL1978737 0.76 APP (0.41) NPC1APPPGRALDH1A1CA12

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
US-9932323-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-03 US disclosed
US-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-20 US disclosed
US-9573938-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-21 US disclosed
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-20 US disclosed
WO-2014043252-A2 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-03-20 WO disclosed
WO-2011057892-A1 2,3-DIHYDROBENZOXAZINE AND 2,3-DIHYDROBENZOTHIAZINE DERIVATES AS HIF-INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES ELARA PHARMACEUTICALS GMBH (DE) 2011-05-19 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-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, P4HA1 VCAM1 3338/4885MEN1 2725/4885KMT2A 2000/4885
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, DHX15 VCAM1 3713/4885MEN1 2676/4885KMT2A 1859/4885

“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.