SCHEMBL3335002

SCHEMBL3335002

Ic1cccc2[nH]ccc12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.58
NOS1 P29475 1/20 0.48
PIK3CD O00329 2/20 0.47
RHEB Q15382 9/20 0.44
MAPK1 P28482 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR6 P50406 1/20 0.44
TRPA1 O75762 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
ADK P55263 1/20 0.42
ASH1L Q9NR48 1/20 0.40
DHPS P49366 2/20 0.39
PIK3CB P42338 1/20 0.38

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
SCHEMBL20540332 0.77 PIK3CD (0.64) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL879761 0.75 AHR (0.58) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL276034 0.73 AHR (0.56) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL317600 0.73 AHR (0.56) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL147290 0.73 AHR (1.00) AHRNOS1PIK3CDRHEBMAPK1
SCHEMBL65514 0.73 AHR (0.56) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL26495 0.73 AHR (0.56) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL10718362 0.73 AHR (0.56) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL113992 0.73 AHR (0.56) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL73057 0.73 RHEB (0.61) AHRNOS1PIK3CDRHEB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 CN claimed
US-20240417764-A1 METHODS FOR THE PRODUCTION OF TRYPTOPHANS, TRYPTAMINES, INTERMEDIATES, SIDE PRODUCTS AND DERIVATIVES MIAMI UNIVERSITY 2024-12-19 US disclosed
EP-4426676-A2 METHODS FOR THE PRODUCTION OF TRYPTOPHANS, TRYPTAMINES, INTERMEDIATES, SIDE PRODUCTS AND DERIVATIVES MIAMI UNIVERSITY (US) 2024-09-11 EP disclosed
WO-2023081837-A9 METHODS FOR THE PRODUCTION OF TRYPTOPHANS, TRYPTAMINES, INTERMEDIATES, SIDE PRODUCTS AND DERIVATIVES MIAMI UNIVERSITY (US) 2024-03-14 WO disclosed
WO-2024026129-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2024026128-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2023239750-A1 BICYCLIC-SUBSTITUTED GLUTARIMIDE CEREBLON BINDERS C4 THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
CN-117024326-A 5-amino substituted indole compound, preparation method thereof and application thereof in anti-acetylcholinesterase medicine 平顶山学院 2023-11-10 CN disclosed
WO-2023183613-A2 INDOLIZINE COMPOUNDS FOR THE TREATMENT OF MENTAL DISORDERS OR INFLAMMATION TACTOGEN INC (US) 2023-09-28 WO disclosed
US-20230286916-A1 SCALABLE SYNTHETIC ROUTE FOR PSILOCIN AND PSILOCYBIN MINDSET PHARMA INC. (CA) 2023-09-14 US disclosed
US-7115751-B2 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYON CO., LTD. (JP) 2006-10-03 US disclosed
US-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYONE CO., LTD. (JP) 2006-09-21 US disclosed
US-7098228-B2 e.g., 3-{1-[2-(3,5-Dimethoxy-phenyl)-5-methyl-oxazol-4-ylmethyl]-1H-indol-4-yl}-2-ethoxy-propionic acid ethyl ester; treating non-insulin dependent diabetes mellitus; PPAR receptor activation HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed
CN-1717407-A Indolyl derivatives HOFFMANN LA ROCHE (CH) 2006-01-04 CN disclosed
EP-1567523-A1 INDOLYL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
WO-2004048371-A1 INDOLYL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO disclosed
US-20040106657-A1 Indolyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-06-03 US disclosed
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2004-01-29 US disclosed
EP-1327632-A1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF Mitsubishi Rayon Co., Ltd. (JP) 2003-07-16 EP 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 (4 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-20040106657-A1 Indolyl derivatives GPR119, IRS1, INSR AHR 1133/4885NOS1 187/4885PIK3CD 989/4885
US-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT AHR 60/4885NOS1 394/4885PIK3CD 3129/4885
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT AHR 51/4885NOS1 494/4885PIK3CD 2805/4885
US-20230286916-A1 SCALABLE SYNTHETIC ROUTE FOR PSILOCIN AND PSILOCYBIN HTR1B, HTR2B, DRD2 AHR 3017/4885NOS1 1877/4885PIK3CD 1141/4885

“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.