SCHEMBL13788820

SCHEMBL13788820

CC(C)(C)Nc1ccc(I)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ ABCC9 O60706 1/20 0.38
▸ KCNJ11 Q14654 1/20 0.38
▸ IDO1 P14902 2/20 0.35
▸ APP P05067 2/20 0.34
▸ TRPV1 Q8NER1 2/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ HDAC8 Q9BY41 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL4603900 0.86 IDO1 (0.39) CA1CA2IDO1NPC1POLB
SCHEMBL5983235 0.76 NPC1 (0.48) CA1CA2NPC1POLBMEN1
SCHEMBL9812331 0.74 IDO1 (0.47) CA1CA2IDO1APPNPC1
SCHEMBL7227231 0.74 POLB (0.53) CA1CA2NPC1POLBMEN1
SCHEMBL12883526 0.74 TSHR (0.48) CA1CA2TRPV1HDAC8NPC1
SCHEMBL2341420 0.74 MAPT (0.42) APPNPC1POLBL3MBTL1MEN1
SCHEMBL12233464 0.74 POLB (0.53) CA1CA2NPC1POLBMEN1
SCHEMBL8743932 0.74 IDO1 (0.33) CA1CA2IDO1NPC1POLB
SCHEMBL1011188 0.74 ALDH1A1 (0.44) ABCC9KCNJ11NPC1POLBMEN1
SCHEMBL1709085 0.73 NPC1 (0.46) NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912529-B Method for synthesizing indole compounds by catalyzing N-aryl amide compounds and vinylene carbonate with ruthenium 成都大学 2023-07-25 — — CN disclosed
CN-113912529-A Method for synthesizing indole compound by catalyzing N-aryl amide compound and vinylene carbonate with ruthenium 成都大学 2022-01-11 — — CN disclosed
US-20190099391-A1 Glucagon Antagonists LIGAND PHARMACEUTICALS, INC. (US) 2019-04-04 — — US disclosed
US-20180071252-A1 METHODS OF TREATING AUTOIMMUNE AND/OR GLOMERULONEPHRITIS-ASSOCIATED DISEASES USING SHP2 INHIBITORS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2018-03-15 — — US disclosed
US-9844535-B2 SHP2 inhibitors and methods of treating autoimmune and/or glomerulonephritis-associated diseases using SHP2 inhibitors INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-12-19 — — US disclosed
US-9844535-B2 SHP2 inhibitors and methods of treating autoimmune and/or glomerulonephritis-associated diseases using SHP2 inhibitors INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-12-19 — — US disclosed
US-20170216229-A1 GLUCAGON ANTAGONISTS LIGAND PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
US-20160374988-A1 SHP2 INHIBITORS AND METHODS OF TREATING AUTOIMMUNE AND/OR GLOMERULONEPHRITIS-ASSOCIATED DISEASES USING SHP2 INHIBITORS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2016-12-29 — — US disclosed
US-9522881-B2 Hydroxyindole carboxylic acid based inhibitors for oncogenic Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-12-20 — — US disclosed
US-20160102054-A1 HYDROXYINDOLE CARBOXYLIC ACID BASED INHIBITORS FOR ONCOGENIC SRC HOMOLOGY-2 DOMAIN CONTAINING PROTEIN TYROSINE PHOSPHATASE-2 (SHP2) INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-04-14 — — US disclosed
US-7560565-B2 Method for preparing derivatives of 3-hydroxypicolinic acid BAYER CROPSCIENCE SA (FR) 2009-07-14 — — 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-20180071252-A1 METHODS OF TREATING AUTOIMMUNE AND/OR GLOMERULONEPHRITIS-ASSOCIATED DISEASES USING SHP2 INHIBITORS PTPRJ, PTPRCAP, PTPRC CA1 3558/4885CA2 1518/4885ABCC9 4438/4885
US-20160102054-A1 HYDROXYINDOLE CARBOXYLIC ACID BASED INHIBITORS FOR ONCOGENIC SRC HOMOLOGY-2 DOMAIN CONTAINING PROTEIN TYROSINE PHOSPHATASE-2 (SHP2) SRC, PTPRCAP, PTPRJ CA1 2974/4885CA2 1654/4885ABCC9 4684/4885
US-20170216229-A1 GLUCAGON ANTAGONISTS GLP1R, GCG, GCGR CA1 2363/4885CA2 926/4885ABCC9 1076/4885
US-20190099391-A1 Glucagon Antagonists GLP1R, GCG, GCGR CA1 2363/4885CA2 926/4885ABCC9 1076/4885
US-20160374988-A1 SHP2 INHIBITORS AND METHODS OF TREATING AUTOIMMUNE AND/OR GLOMERULONEPHRITIS-ASSOCIATED DISEASES USING SHP2 INHIBITORS PTPRJ, PTPRCAP, PTPN2 CA1 3495/4885CA2 1672/4885ABCC9 4045/4885

“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.

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