SCHEMBL4579588

SCHEMBL4579588

CCNc1ccc(NC(C)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
HTT P42858 1/20 0.61
KMT2A Q03164 6/20 0.59
MEN1 O00255 4/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
CA12 O43570 1/20 0.59
BRD4 O60885 1/20 0.59
NR1I2 O75469 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
MB P02144 1/20 0.59
CYP1A1 P04798 1/20 0.59
CA3 P07451 1/20 0.59
CYP3A4 P08684 1/20 0.59
RARG P13631 1/20 0.59
TSHR P16473 1/20 0.59
ALOX5AP P20292 1/20 0.59

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
SCHEMBL25001225 0.91 TSHR (0.65) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL14509006 0.89 KMT2A (0.62) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL24064963 0.89 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL21184278 0.88 MTNR1A (0.54) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL861674 0.83 SMN1; SMN2 (0.84) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL8483061 0.83 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL18171766 0.83 LMNA (0.50) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL13123431 0.81 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL11697079 0.81 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL10294748 0.81 GAA (0.61) SMN1; SMN2HTTKMT2AMEN1ALDH1A1

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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
WO-2020216350-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 中国人民解放军军事科学院军事医学研究院 2020-10-29 WO disclosed
EP-2464228-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed
US-8278455-B2 5- or 6-substituted benzimidazole derivatives as inhibitors of respiratory syncytial virus replication JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-02 US disclosed
US-8278455-B2 5- or 6-substituted benzimidazole derivatives as inhibitors of respiratory syncytial virus replication JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-02 US disclosed
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-17 US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-20090062278-A1 5- OR 6-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION JANSSEN SCIENCES IRELAND UC (IE) 2009-03-05 US disclosed
US-20090062278-A1 5- OR 6-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION JANSSEN SCIENCES IRELAND UC (IE) 2009-03-05 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-7354965-B2 Azo compound, colorant-containing curable composition, and color filter and method of producing the same FUJIFILM CORPORATION (JP) 2008-04-08 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
US-20070093502-A1 5- Or 6-substituted benzimidazole derivatives as inhibitors of respiratory syncytial virus replication BONFANTI JEAN-FRANCOIS 2007-04-26 US disclosed
US-20070093502-A1 5- Or 6-substituted benzimidazole derivatives as inhibitors of respiratory syncytial virus replication BONFANTI JEAN-FRANCOIS 2007-04-26 US disclosed
US-6987174-B2 Azo compound, colorant-containing curable composition, color filter and color filter production method FUJI PHOTO FILM CO., LTD. (JP) 2006-01-17 US disclosed
WO-2005058874-A1 5- OR 6-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 WO disclosed
US-20050065246-A1 Novel azo compound, colorant-containing curable composition, and color filter and method of producing the same FUJI PHOTO FILM CO., LTD. 2005-03-24 US disclosed
US-20040260075-A1 Azo compound, colorant-containing curable composition, color filter and color filter production method FUJI PHOTO FILM CO., LTD. 2004-12-23 US disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 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-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 SMN1; SMN2 4711/4885L3MBTL1 4693/4885HTT 1673/4885
US-20070093502-A1 5- Or 6-substituted benzimidazole derivatives as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SUB1, HYOU1 SMN1; SMN2 1312/4885L3MBTL1 2042/4885HTT 911/4885
US-20090062278-A1 5- OR 6-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYC1, SUB1 SMN1; SMN2 1382/4885L3MBTL1 1954/4885HTT 1670/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 SMN1; SMN2 4711/4885L3MBTL1 4693/4885HTT 1673/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE SMN1; SMN2 4875/4885L3MBTL1 1539/4885HTT 1336/4885

“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.