SCHEMBL3470321

SCHEMBL3470321

COc1ccc([N+](=O)[O-])c(C(=O)c2ccc(C(C)C)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.55
HTT P42858 4/20 0.55
NPSR1 Q6W5P4 3/20 0.55
GAA P10253 1/20 0.55
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.54
PAX8 Q06710 2/20 0.54
RAF1 P04049 1/20 0.54
HPGD P15428 1/20 0.54
GFER P55789 1/20 0.54
POLB P06746 2/20 0.48
MGLL Q99685 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3281727 0.83 MAPK1 (0.43) MAPK1HTTNPSR1GAAALDH1A1
SCHEMBL3276849 0.83 MAPT (0.43) MAPK1HTTNPSR1GAAALDH1A1
SCHEMBL3469780 0.81 HTT (0.55) MAPK1HTTNPSR1ALDH1A1MEN1
SCHEMBL15080783 0.80 MAPT (0.56) MAPK1HTTNPSR1ALDH1A1MEN1
SCHEMBL22065496 0.78 ALDH1A1 (0.49) MAPK1ALDH1A1MAPTLMNAPAX8
SCHEMBL4821171 0.78 TUBB1 (0.57) MAPK1HTTNPSR1ALDH1A1MEN1
SCHEMBL12326834 0.76 ALDH1A1 (0.53) MAPK1ALDH1A1MAPTLMNAPAX8
SCHEMBL269614 0.76 AKR1C3 (0.63) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL30580504 0.76 AKR1C3 (0.63) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL10395946 0.75 MAPK1 (0.50) MAPK1HTTNPSR1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
EP-2191832-A1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2010-06-02 EP disclosed
EP-2191832-A1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2010-06-02 EP disclosed
EP-1401451-B1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2009-11-11 EP disclosed
US-20040180912-A1 Quinazoline derivatives NOVARTIS AG (CH) 2004-09-16 US disclosed
EP-1401451-A2 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2004-03-31 EP disclosed
WO-2002102782-A2 QUINAZOLINE DERIVATIVES which PROMOTE THE RELEASE OF PARATHYROID_HORMONE NOVARTIS AG (CH) 2002-12-27 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-20040180912-A1 Quinazoline derivatives PTH1R, PTMS, CALCA MAPK1 602/4885HTT 4415/4885NPSR1 599/4885

“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.