SCHEMBL1197883

SCHEMBL1197883

COCCn1cc(Br)cc([N+](=O)[O-])c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
TNF P01375 1/20 0.37
RAB9A P51151 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL19172686 0.83 SMN1; SMN2 (0.40) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL25746080 0.80 SMN1; SMN2 (0.58) LMNAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL24566543 0.79 LMNA (0.36) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL15332072 0.78 ERN1 (0.38) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL20709919 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL255765 0.75 MAPT (0.47) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL15332270 0.75 ERN1 (0.40) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL1983006 0.74 LMNA (0.37) LMNAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL13075495 0.74 RECQL (0.49) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL19173412 0.72 CYP1A2 (0.34) LMNAALDH1A1MAPTKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 US disclosed
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
EP-2039694-B1 CGRP receptor antagonists MERCK SHARP & DOHME (US) 2014-03-26 EP disclosed
US-7893052-B2 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2011-02-22 US disclosed
US-20100298303-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-11-25 US disclosed
US-7772224-B2 Calcitonin gene-related peptide (CGRP) receptor antagonists such as N-[1-(2,3-Difluorobenzyl)-5-oxo-4-(2,22-trifluoroethyl)-1,4-diazepan-6-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide, used for treating headaches MERCK SHARP & DOHME CORP. (US) 2010-08-10 US disclosed
US-7745427-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-06-29 US disclosed
US-20090192139-A1 Calcitonin gene-related peptide (CGRP) receptor antagonists such as N-[1-(2,3-Difluorobenzyl)-5-oxo-4-(2,22-trifluoroethyl)-1,4-diazepan-6-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide, used for treating headaches MERCK SHARP & DOHME LLC 2009-07-30 US disclosed
US-7534784-B2 ligands for Calcitonin gene related peptide; azepinone ligands; migranes; N-[5-(2,3-Difluorophenyl)-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide MERCK + CO., INC. (US) 2009-05-19 US disclosed
EP-2039694-A1 CGRP receptor antagonists Merck & Co., Inc. (US) 2009-03-25 EP disclosed
US-7452903-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2008-11-18 US disclosed
US-20080280857-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-11-13 US disclosed
US-20080090806-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-20070225272-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-09-27 US disclosed
US-7235545-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2007-06-26 US disclosed
EP-1638969-A2 CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2006-03-29 EP disclosed
US-20050256098-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2005-11-17 US disclosed
US-6953790-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2005-10-11 US disclosed
US-20040229861-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2004-11-18 US disclosed
WO-2004092166-A2 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2004-10-28 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 (9 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-20080090806-A1 Cgrp Receptor Antagonists CCKBR, BDKRB1, BDKRB2 LMNA 1765/4885ALDH1A1 3531/4885MAPT 2509/4885
US-20040229861-A1 CGRP receptor antagonists CCKBR, CCKAR, CALCRL LMNA 2166/4885ALDH1A1 3242/4885MAPT 3020/4885
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B LMNA 4393/4885ALDH1A1 3735/4885MAPT 4844/4885
US-20090192139-A1 Calcitonin gene-related peptide (CGRP) receptor antagonists such as N-[1-(2,3-Difluorobenzyl)-5-oxo-4-(2,22-trifluoroethyl)-1,4-diazepan-6-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide, used for treating headaches CALCRL, CALCB, CALCR LMNA 1888/4885ALDH1A1 3158/4885MAPT 3827/4885
US-20050256098-A1 CGRP receptor antagonists CCKBR, BDKRB1, BDKRB2 LMNA 1622/4885ALDH1A1 3512/4885MAPT 2650/4885
US-20100298303-A1 CGRP RECEPTOR ANTAGONISTS CCKBR, BDKRB1, BDKRB2 LMNA 1622/4885ALDH1A1 3512/4885MAPT 2650/4885
US-20070225272-A1 CGRP receptor antagonists CCKBR, BDKRB1, BDKRB2 LMNA 1622/4885ALDH1A1 3512/4885MAPT 2650/4885
US-20080280857-A1 CGRP receptor antagonists CCKBR, BDKRB1, BDKRB2 LMNA 1622/4885ALDH1A1 3512/4885MAPT 2650/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B LMNA 4393/4885ALDH1A1 3735/4885MAPT 4844/4885

“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.