SCHEMBL1041978

SCHEMBL1041978

[c]1cccc(CNCc2cccnc2)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
CYP2D6 P10635 1/20 0.70
ALDH1A1 P00352 5/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CHRM2 P08172 1/20 0.54
HTT P42858 1/20 0.53
POLB P06746 2/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.49
MAPK1 P28482 2/20 0.48
LTA4H P09960 1/20 0.47
ADRA2C P18825 1/20 0.46
RECQL P46063 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
SCHEMBL2861457 0.84 CYP1A2 (1.00) CYP1A2CYP2D6ALDH1A1NPSR1CHRM2
SCHEMBL1044020 0.83 CYP1A2 (0.75) CYP1A2CYP2D6ALDH1A1NPSR1CHRM2
SCHEMBL1043672 0.83 SLC2A4 (0.51) CYP1A2CYP2D6ALDH1A1NPSR1HTT
Hydrochloric Acid SCHEMBL6121350 0.82 CYP1A2 (0.95) CYP1A2CYP2D6ALDH1A1NPSR1CHRM2
SCHEMBL10492340 0.81 CYP11B1 (0.46) CYP1A2CYP2D6
SCHEMBL6293446 0.81 CHRNA7 (0.53) CYP1A2CYP2D6TDP1
SCHEMBL3318487 0.81 LTA4H (0.57) CYP1A2CYP2D6ALDH1A1LTA4H
SCHEMBL10054984 0.80 CYP1A2 (0.91) CYP1A2CYP2D6ALDH1A1NPSR1CHRM2
SCHEMBL1042402 0.78 CYP1A2 (0.88) CYP1A2CYP2D6ALDH1A1NPSR1CHRM2
SCHEMBL22304865 0.78 CYP1A2 (0.88) CYP1A2CYP2D6ALDH1A1NPSR1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725528-B1 SULPHONYLPYRROLES AS HDAC INHIBITORS 4SC AG (DE) 2013-05-29 EP claimed
WO-2019043176-A2 HDAC INHIBITOR IN COMBINATION WITH ANTIMETABOLITE AGENT FOR CANCER THERAPY 4SC AG (DE) 2019-03-07 WO disclosed
US-8969401-B2 Sulfonylpyrroles 4SC AG (DE) 2015-03-03 US disclosed
EP-1725528-B1 SULPHONYLPYRROLES AS HDAC INHIBITORS 4SC AG (DE) 2013-05-29 EP disclosed
US-20130079347-A1 NOVEL SULFONYLPYRROLES ALTANA PHARMA AG (DE) 2013-03-28 US disclosed
US-8399505-B2 Sulfonylpyrroles 4SC AG (DE) 2013-03-19 US disclosed
US-8232297-B2 Sulphonylpyrroles as inhibitors of HDACs novel sulphonylpyrroles 4SC AG (DE) 2012-07-31 US disclosed
US-8188138-B2 Sulphonylpyrrole hydrochloride salts as histone deacetylases inhibitors 4SC AG (DE) 2012-05-29 US disclosed
US-8067615-B2 Sulphonylpyrroles 4SC AG (DE) 2011-11-29 US disclosed
US-20110166140-A1 NOVEL SULPHONYLPYRROLES MAIER THOMAS 2011-07-07 US disclosed
EP-1928872-A1 NOVEL SULPHONYLPYRROLES AS INHIBITORS OF HDAC S NOVEL SULPHONYLPYRROLES Nycomed GmbH (DE) 2008-06-11 EP disclosed
US-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-09-27 US disclosed
US-20070184979-A1 Novel sulfonylpyrroles ALTANA PHARMA AG (DE) 2007-08-09 US disclosed
WO-2007039404-A1 NOVEL SULPHONYLPYRROLES AS INHIBITORS OF HDAC S NOVEL SULPHONYLPYRROLES NYCOMED GMBH (DE) 2007-04-12 WO disclosed
WO-2007039403-A1 SULPHONYLPYRROLE HYDROCHLORIDE SALTS AS HISTONE DEACETYLASES INHIBITORS NYCOMED GMBH (DE) 2007-04-12 WO disclosed
EP-1725528-A2 SULPHONYLPYRROLES AS HDAC INHIBITORS Altana Pharma AG (DE) 2006-11-29 EP disclosed
EP-1641465-A2 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID Theravance, Inc. (US) 2006-04-05 EP disclosed
WO-2005087724-A2 SULPHONYLPYRROLES AS HDAC INHIBITORS ALTANA PHARMA AG (DE) 2005-09-22 WO disclosed
WO-2005025555-A2 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE, INC. (US) 2005-03-24 WO disclosed
US-20030229058-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2003-12-11 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 (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-20070184979-A1 Novel sulfonylpyrroles HDAC1, HDAC4, HDAC3 CYP1A2 2058/4885CYP2D6 1684/4885ALDH1A1 389/4885
US-20110166140-A1 NOVEL SULPHONYLPYRROLES HDAC1, HDAC3, HDAC2 CYP1A2 1432/4885CYP2D6 1880/4885ALDH1A1 897/4885
US-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB3, ADRB1 CYP1A2 67/4885CYP2D6 296/4885ALDH1A1 614/4885
US-20130079347-A1 NOVEL SULFONYLPYRROLES HDAC3, HDAC1, HDAC2 CYP1A2 2626/4885CYP2D6 2999/4885ALDH1A1 1504/4885
US-20030229058-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 CYP1A2 65/4885CYP2D6 282/4885ALDH1A1 397/4885

“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.