SCHEMBL961045

SCHEMBL961045

NCc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
CYP1A2 P05177 1/20 0.40
SNCA P37840 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
ACHE P22303 1/20 0.39
CYP2A6 P11509 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
CTSB P07858 1/20 0.38
ERN1 O75460 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
PDK1 Q15118 1/20 0.36
TDP1 Q9NUW8 4/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL31272132 1.00 S100A4 (0.45) S100A4TRPV1CYP1A2SNCAPKM
SCHEMBL2019611 0.87 S100A4 (0.44) S100A4TRPV1CYP1A2SNCAPKM
SCHEMBL933086 0.85 ACHE (0.42) S100A4TRPV1MAPK1ACHECYP2A6
SCHEMBL1199050 0.83 S100A4 (0.46) S100A4TRPV1CYP1A2SNCAPKM
SCHEMBL29561732 0.83 S100A4 (0.46) S100A4TRPV1CYP1A2SNCAPKM
SCHEMBL559763 0.83 PDK1 (0.51) S100A4TRPV1CYP1A2SNCAPKM
SCHEMBL14756219 0.81 TSHR (0.56) S100A4TRPV1CYP1A2SNCAPKM
SCHEMBL29291499 0.81 S100A4 (0.45) S100A4TRPV1CYP1A2SNCAPKM
SCHEMBL3526369 0.81 S100A4 (0.45) S100A4TRPV1CYP1A2SNCAPKM
SCHEMBL27875769 0.81 S100A4 (0.45) S100A4TRPV1CYP1A2SNCAPKM

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4490161-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND THE USE THEREOF Impact Therapeutics (Shanghai), Inc. (CN) 2025-01-15 EP disclosed
WO-2023169226-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND THE USE THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2023-09-14 WO disclosed
EP-1973917-B1 PROTEIN KINASE INHIBITORS ABBVIE INC (US) 2015-06-10 EP disclosed
EP-2324017-B1 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2014-12-31 EP disclosed
US-8846668-B2 Inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20120108578-A1 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
EP-2324017-A2 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
US-7524873-B2 Substituted N-phenylmethyl ethanamines; N-((6-(methyloxy)-4'-(trifluoromethyl)-1,1'-biphenyl-3-yl)methyl)-1-(1-naphthalenyl)ethanamine; parathyroid hormone inhibitors; antisecretory agents; osteoporosis AMGEN INC. (US) 2009-04-28 US disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
EP-1973917-A2 PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2008-10-01 EP disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 US disclosed
WO-2007079164-A2 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2007-07-12 WO disclosed
US-20070142381-A1 Calcium receptor modulating agents AMGEN INC. 2007-06-21 US disclosed
US-7196102-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-03-27 US disclosed
US-20050143426-A1 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. 2005-06-30 US disclosed
US-6908935-B2 Calcium receptor modulating agents AMGEN INC. (US) 2005-06-21 US disclosed
US-20040082625-A1 Calcium receptor modulating agents AMGEN INC. 2004-04-29 US 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 (6 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-20040082625-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR S100A4 949/4885TRPV1 78/4885CYP1A2 4699/4885
US-20070142381-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR S100A4 941/4885TRPV1 101/4885CYP1A2 4768/4885
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 S100A4 4479/4885TRPV1 4804/4885CYP1A2 120/4885
US-20120108578-A1 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 S100A4 3934/4885TRPV1 4864/4885CYP1A2 94/4885
US-20050143426-A1 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion PTH1R, PTMS, SOST S100A4 1172/4885TRPV1 1949/4885CYP1A2 4471/4885
US-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 S100A4 2981/4885TRPV1 4020/4885CYP1A2 4565/4885

“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.