SCHEMBL6811645

SCHEMBL6811645

CO/N=C(\C)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.55
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 6/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
GAA P10253 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HPGD P15428 3/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL6811647 1.00 MAPT (0.55) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL7784338 0.87 MAPT (0.64) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL7863659 0.87 MAPT (0.64) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL27485349 0.80 GSK3B (0.47) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL12750110 0.76 LMNA (0.48) MAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL10313137 0.75 MAPT (0.47) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL4770473 0.74 ALDH1A1 (0.58) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL609170 0.74 ALDH1A1 (0.68) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL334850 0.74 MAPT (0.74) MAPTKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5336330 0.74 TSHR (0.43) MAPTALDH1A1SMN1; SMN2RAB9AALOX15

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
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US disclosed
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
US-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-6403617-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMANHERPESVIRUSES-6 AND -7, AND KAPOSI HERPESVIRUS AMERICAN HOME PRODUCTS CORP. 2002-06-11 US disclosed
US-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2002-02-28 US disclosed
US-6335350-B1 VARICELLA-ZOSTER, HUMAN CYTOMEGALO, EPSTEIN-BARR AND KAPOSI HERPESVIRUS TREATMENT AMERICAN HOME PRODUCTS CORPORATION 2002-01-01 US disclosed
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 US disclosed
US-6271236-B1 PHENYL UREAS/THIOUREAS AS INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE ENZYME, USEFUL IN TREATING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, AND VARICELLA-ZOSTER VIRUS WYETH 2001-08-07 US disclosed
US-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 US disclosed
US-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 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 (3 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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 MAPT 3898/4885KDM4E 2975/4885ALDH1A1 3447/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR MAPT 3272/4885KDM4E 1441/4885ALDH1A1 3620/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 MAPT 4129/4885KDM4E 225/4885ALDH1A1 3601/4885

“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.