SCHEMBL1899306

SCHEMBL1899306

O=C=Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 3/20 0.41
TRPA1 O75762 1/20 0.41
MAOA P21397 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
KMO O15229 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
MGLL Q99685 3/20 0.37
MIF P14174 1/20 0.37
FAAH O00519 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL30365208 0.94 TDP1 (0.48) MAPK1TDP1CYP3A4TRPA1MAOA
SCHEMBL894324 0.94 TDP1 (0.48) MAPK1TDP1CYP3A4TRPA1MAOA
SCHEMBL894657 0.90 TDP1 (0.47) MAPK1TDP1CYP3A4TRPA1ALDH1A1
SCHEMBL11206075 0.85 MAPK1 (0.41) MAPK1TDP1CYP3A4TRPA1ALDH1A1
SCHEMBL29849714 0.85 AGXT (0.40) MAPK1TDP1CYP3A4TRPA1ALDH1A1
SCHEMBL29849567 0.85 AGXT (0.40) MAPK1TDP1CYP3A4TRPA1ALDH1A1
SCHEMBL18936487 0.83 CYP3A4 (0.44) MAPK1TDP1CYP3A4TRPA1ALDH1A1
Biphenyl SCHEMBL28576528 0.82 CYP3A4 (0.54) MAPK1TDP1CYP3A4TRPA1ALDH1A1
SCHEMBL27873 0.82 TDP1 (0.54) MAPK1TDP1CYP3A4TRPA1ALDH1A1
SCHEMBL10615043 0.82 TDP1 (0.54) MAPK1TDP1CYP3A4TRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 US disclosed
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 US disclosed
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-01-14 US disclosed
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-01-14 US disclosed
WO-2019178119-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-09-19 WO disclosed
EP-2496549-B1 NEW, NON-CRYSTALLISING METHACRYLATE, ITS MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2014-10-08 EP disclosed
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
EP-2496549-A2 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF Bayer MaterialScience AG (DE) 2012-09-12 EP disclosed
US-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-30 US disclosed
WO-2011054818-A2 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER MATERIALSCIENCE AG (DE) 2011-05-12 WO disclosed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP disclosed
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP disclosed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 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 (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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 MAPK1 3620/4885TDP1 2950/4885CYP3A4 2552/4885
US-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF MEP1A, MMAB, RHOA MAPK1 2487/4885TDP1 2648/4885CYP3A4 2674/4885
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE AAAS, PROC, AADAC MAPK1 4577/4885TDP1 2795/4885CYP3A4 122/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH MAPK1 3326/4885TDP1 82/4885CYP3A4 4761/4885
US-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R MAPK1 3742/4885TDP1 3019/4885CYP3A4 1325/4885
US-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC MAPK1 4577/4885TDP1 2795/4885CYP3A4 122/4885

“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.