SCHEMBL2610325

SCHEMBL2610325

CC(=O)c1ccc2c(c1)CCN2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
PARP10 Q53GL7 1/20 0.47
PARP11 Q9NR21 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL3096482 0.90 MAPT (0.73) MAPTKDM4EDRD2DRD4NPC1
SCHEMBL5776193 0.88 MAPT (0.67) MAPTKDM4EDRD2DRD4NPC1
SCHEMBL11808846 0.86 MAPT (0.50) MAPTKDM4EDRD2DRD4NPC1
SCHEMBL2638095 0.84 KDM4E (0.81) MAPTKDM4EDRD2DRD4ALDH1A1
SCHEMBL29530477 0.84 KDM4E (0.81) MAPTKDM4EDRD2DRD4ALDH1A1
SCHEMBL29779540 0.82 KDM4E (0.58) MAPTKDM4EDRD2DRD4ALDH1A1
Hydrochloric Acid SCHEMBL698487 0.82 KDM4E (0.78) MAPTKDM4EDRD2DRD4ALDH1A1
SCHEMBL4051485 0.82 KDM4E (0.58) MAPTKDM4EDRD2DRD4ALDH1A1
SCHEMBL288320 0.81 MAPT (0.54) MAPTKDM4EDRD2DRD4ALDH1A1
SCHEMBL8511891 0.81 KDM4E (0.54) MAPTKDM4EDRD2DRD4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039135-A Carboxyl chalcone derivative and preparation method and application thereof 四川大学 2024-11-29 CN claimed
CN-115626889-B Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2024-04-30 CN claimed
CN-115353478-A Preparation method of indole compound 南京工业大学 2022-11-18 CN claimed
CN-119039135-A Carboxyl chalcone derivative and preparation method and application thereof 四川大学 2024-11-29 CN disclosed
CN-115626889-B Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2024-04-30 CN disclosed
CN-115353478-B Preparation method of indole compound 南京工业大学 2023-10-27 CN disclosed
WO-2023125473-A1 INDOLINE COMPOUNDS AND DERIVATIVES THEREOF, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国药科大学 2023-07-06 WO disclosed
CN-115626889-A Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2023-01-20 CN disclosed
CN-115353478-A Preparation method of indole compound 南京工业大学 2022-11-18 CN disclosed
US-10759786-B2 1-tetrahydropyranylcarbonyl-2,3-dihydro-1H-indole compounds for treating cancer ELI LILLY AND COMPANY (US) 2020-09-01 US disclosed
EP-3468965-B1 1-TETRAHYDROPYRANYLCARBONYL-2,3-DIHYDRO-1H-INDOLE COMPOUNDS FOR TREATING CANCER LILLY CO ELI (US) 2020-04-29 EP disclosed
US-6004957-A VIRICIDES FOR HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRUS VERTEX PHARMACEUTICALS, INCORPORATED (US) 1999-12-21 US disclosed
US-5977137-A Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INCORPORATED (US) 1999-11-02 US disclosed
EP-0659181-B1 SULFONAMIDE INHIBITORS OF HIV-ASPARTYL PROTEASE VERTEX PHARMA (US) 1999-04-07 EP disclosed
US-5856353-A Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INCORPORATED (US) 1999-01-05 US disclosed
EP-0885887-A2 Sulfonamide inhibitors of HIV-Aspartyl protease Vertex Pharmaceuticals Incorporated (US) 1998-12-23 EP disclosed
US-5783701-A ANTI-HIV VIRICIDES VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-07-21 US disclosed
US-5585397-A VIRICIDES VERTEX PHARMACEUTICALS, INCORPORATED (US) 1996-12-17 US disclosed
EP-0659181-A1 SULFONAMIDE INHIBITORS OF HIV-ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-06-28 EP disclosed
WO-1994005639-A1 SULFONAMIDE INHIBITORS OF HIV-ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1994-03-17 WO 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 (1 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-10759786-B2 1-tetrahydropyranylcarbonyl-2,3-dihydro-1H-indole compounds for treating cancer MCL1, FOXM1, IDO1 MAPT 3015/4885KDM4E 1736/4885DRD2 940/4885

“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.