SCHEMBL12416679

SCHEMBL12416679

Oc1ccc(Br)cc1/C=N/c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.71
LMNA P02545 1/20 0.71
MAOB P27338 1/20 0.67
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA9 Q16790 1/20 0.64
ALDH1A1 P00352 6/20 0.62
MAPT P10636 7/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
KDM4E B2RXH2 5/20 0.61
GAA P10253 3/20 0.61
THRB P10828 1/20 0.61
MAPK1 P28482 1/20 0.61
PTK6 Q13882 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.55
EGFR P00533 1/20 0.53
CASP1 P29466 2/20 0.53
PKM P14618 1/20 0.52

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
SCHEMBL3825044 0.86 CA12 (0.64) SMN1; SMN2LMNAMAOBCA12CA1
SCHEMBL14103565 0.86 SMN1; SMN2 (0.77) SMN1; SMN2LMNAMAOBCA12CA1
SCHEMBL3825042 0.86 CA12 (0.64) SMN1; SMN2LMNAMAOBCA12CA1
SCHEMBL4354122 0.84 ALDH1A1 (0.61) SMN1; SMN2LMNAMAOBCA12CA1
SCHEMBL4354123 0.84 ALDH1A1 (0.61) SMN1; SMN2LMNAMAOBCA12CA1
SCHEMBL1527098 0.83 SMN1; SMN2 (0.72) SMN1; SMN2LMNAMAOBCA12CA1
SCHEMBL12584903 0.83 SMN1; SMN2 (0.72) SMN1; SMN2LMNAMAOBCA12CA1
SCHEMBL12416714 0.83 LMNA (1.00) SMN1; SMN2LMNAMAOBCA12CA1
SCHEMBL1527094 0.83 SMN1; SMN2 (0.72) SMN1; SMN2LMNAMAOBCA12CA1
SCHEMBL30342861 0.83 LMNA (1.00) SMN1; SMN2LMNAMAOBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 US disclosed
EP-3150589-A1 IRE-1A INHIBITORS MannKind Corporation (US) 2017-04-05 EP disclosed
US-9546149-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-01-17 US disclosed
EP-2155643-B1 IRE-1A INHIBITORS MANNKIND CORP (US) 2016-08-10 EP disclosed
US-20160168116-A1 IRE-1alpha Inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2016-06-16 US disclosed
EP-2520561-B1 IRE-1A Inhibitors MANNKIND CORP (US) 2016-02-10 EP disclosed
US-9241942-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2016-01-26 US disclosed
US-20140080832-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 US disclosed
WO-2008094319-A2 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYTEM (US) 2008-08-07 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 (5 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-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 SMN1; SMN2 1384/4885LMNA 1886/4885MAOB 4705/4885
US-20160168116-A1 IRE-1alpha Inhibitors XBP1, DDIT3, ERN1 SMN1; SMN2 1384/4885LMNA 1886/4885MAOB 4705/4885
US-20140080832-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 SMN1; SMN2 1384/4885LMNA 1886/4885MAOB 4705/4885
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 SMN1; SMN2 1896/4885LMNA 947/4885MAOB 4398/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 SMN1; SMN2 1896/4885LMNA 947/4885MAOB 4398/4885

“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.