SCHEMBL84588

SCHEMBL84588

[C-]#[N+]c1ccc2[nH]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.50
▸ NR4A2 P43354 2/20 0.50
▸ CYP2A6 P11509 2/20 0.50
▸ F7 P08709 1/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ F3 P13726 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ RAD51 Q06609 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ IMPDH2 P12268 1/20 0.46
▸ IMPDH1 P20839 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ F2 P00734 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ ITGB2 P05107 1/20 0.41

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
SCHEMBL29956542 1.00 AHR (0.50) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL10300642 0.83 AHR (0.50) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL5134069 0.79 AHR (0.50) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL29955770 0.71 AHR (0.46) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL5850255 0.70 NPC1 (0.79) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL2530865 0.69 GPR84 (0.67) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL12900638 0.68 KDM4E (0.38) CYP1A2
SCHEMBL177313 0.67 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL74304 0.67 AHR (1.00) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL18805065 0.67 AHR (1.00) AHRNR4A2CYP2A6F7LTA4H

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112824438-A Novel synthesis method of polyimide 湘潭大学 2021-05-21 — — CN claimed
CN-112824438-B Synthetic method of polyimide 湘潭大学 2022-05-17 — — CN disclosed
CN-112824438-A Novel synthesis method of polyimide 湘潭大学 2021-05-21 — — CN disclosed
US-9969721-B2 Process for the preparation of vilazodone hydrochloride and its amorphous form ALEMBIC PHARMACEUTICALS LIMITED (IN) 2018-05-15 — — US disclosed
US-20180022699-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA L.P. 2018-01-25 — — US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 — — US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 — — US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 — — US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 — — US disclosed
US-9533949-B2 Processes for the preparation of 3-alkyl indoles APOTEX PHARMACHEM INC. (CA) 2017-01-03 — — US disclosed
US-7375219-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2008-05-20 — — US disclosed
US-20080039462-A1 Compounds having 5-HT6 receptor affinity MEMORY PHARMACEUTICALS CORPORATION 2008-02-14 — — US disclosed
US-7323608-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-01-29 — — US disclosed
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 — — US disclosed
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 — — US disclosed
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2007-11-01 — — US disclosed
US-20070105924-A1 Vigabatrin bioisoteres and related methods of use NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-05-10 — — US disclosed
WO-2007050381-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-03 — — WO disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 — — US disclosed
US-20050070578-A1 Small organic molecule regulators of cell proliferation CURIS, INC. 2005-03-31 — — 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 (8 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-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 AHR 4159/4885NR4A2 3092/4885CYP2A6 3817/4885
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 AHR 2699/4885NR4A2 2848/4885CYP2A6 4862/4885
US-20080039462-A1 Compounds having 5-HT6 receptor affinity HTR6, HTR3B, HTR1B AHR 1233/4885NR4A2 1229/4885CYP2A6 223/4885
US-20180022699-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF TRPC5, TRPV5, TRPV1 AHR 198/4885NR4A2 2297/4885CYP2A6 311/4885
US-20070105924-A1 Vigabatrin bioisoteres and related methods of use GABRB3, GABRB2, GABRE AHR 3782/4885NR4A2 2981/4885CYP2A6 194/4885
US-20050070578-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO AHR 611/4885NR4A2 603/4885CYP2A6 4348/4885
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS OGFRL1, OPRL1, ORMDL3 AHR 179/4885NR4A2 197/4885CYP2A6 1365/4885
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NOS1, NOS3, NOS2 AHR 2824/4885NR4A2 4256/4885CYP2A6 361/4885

“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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