SCHEMBL5008045

SCHEMBL5008045

O=C(O)c1cnc(-c2ncccn2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.52
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 5/20 0.50
CYP1A2 P05177 3/20 0.44
NFKB1 P19838 1/20 0.44
PPARG P37231 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PTPN1 P18031 1/20 0.42
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL12571419 0.85 ALDH1A1 (0.46) HCAR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL24176348 0.85 ALDH1A1 (0.45) HCAR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2160017 0.80 ALDH1A1 (0.74) HCAR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23080977 0.80 ALDH1A1 (0.45) HCAR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21563726 0.80 PTPN1 (0.43) HCAR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23794715 0.80 HCAR2 (0.49) HCAR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1222603 0.78 ALDH1A1 (0.72) HCAR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3593476 0.76 CDC7 (0.63) HCAR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5010260 0.76 HCAR2 (0.47) HCAR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1421843 0.75 MKNK1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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
EP-4522606-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS Merck Sharp & Dohme LLC (US) 2025-03-19 EP disclosed
WO-2023220223-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 WO disclosed
US-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 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-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS METAP1, SARS1, RTF1 HCAR2 2741/4885NPC1 2831/4885RAB9A 573/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 HCAR2 92/4885NPC1 2681/4885RAB9A 3562/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT HCAR2 228/4885NPC1 2525/4885RAB9A 1688/4885
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR HCAR2 1403/4885NPC1 789/4885RAB9A 399/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 HCAR2 46/4885NPC1 2508/4885RAB9A 2477/4885

“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.