SCHEMBL780814

SCHEMBL780814

CC(C)(C#N)c1ccccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
KCNN4 O15554 5/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
KCNE1 P15382 1/20 0.32
KCNQ1 P51787 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL30966621 1.00 ACHE (0.36) ACHEKCNN4HSP90AA1HSP90AB1L3MBTL1
SCHEMBL8763114 0.84 TSHR (0.39) HSP90AA1HSP90AB1L3MBTL1TDP1ALDH1A1
SCHEMBL1626692 0.83 L3MBTL1 (0.38) HSP90AA1HSP90AB1L3MBTL1
SCHEMBL28679019 0.82 CHRM3 (0.35) ACHEL3MBTL1AR
SCHEMBL7767484 0.80 L3MBTL1 (0.33) L3MBTL1
SCHEMBL3866351 0.80 CA2 (0.34) HSP90AA1HSP90AB1L3MBTL1
SCHEMBL3919628 0.78 AR (0.43) L3MBTL1TDP1ALDH1A1PGRAR
SCHEMBL18567417 0.78 PGR (0.33) ACHEKCNN4L3MBTL1HDAC3HDAC1
SCHEMBL3535813 0.77 AR (0.40) L3MBTL1PGRAR
SCHEMBL13439652 0.77 TDP1 (0.44) HSP90AA1HSP90AB1TDP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101166722-A Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH CORP (US) 2008-04-23 CN claimed
EP-1877377-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES Wyeth (US) 2008-01-16 EP claimed
WO-2006118955-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES WYETH (US) 2006-11-09 WO claimed
US-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2006-11-02 US claimed
US-20250163039-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2025-05-22 US disclosed
EP-4452964-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2024-10-30 EP disclosed
CN-118339153-A Heteroaromatic compounds for the treatment of cancer 勃林格殷格翰国际有限公司 2024-07-12 CN disclosed
WO-2023117681-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-29 WO disclosed
EP-2435410-B1 LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2017-01-18 EP disclosed
EP-2435410-B1 LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2017-01-18 EP disclosed
US-20160280661-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2016-09-29 US disclosed
US-20160280661-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2016-09-29 US disclosed
US-7595338-B2 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2009-09-29 US disclosed
US-7595338-B2 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2009-09-29 US disclosed
US-7595338-B2 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2009-09-29 US disclosed
CN-101522637-A Benzimidazole derivatives useful for the treatment of vanilloid receptor 1-related disorders ASTRAZENECA AB (SE) 2009-09-02 CN disclosed
CN-101166722-A Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH CORP (US) 2008-04-23 CN disclosed
EP-1877377-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES Wyeth (US) 2008-01-16 EP disclosed
WO-2006118955-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES WYETH (US) 2006-11-09 WO disclosed
US-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2006-11-02 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 (3 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-20250163039-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER NRAS, KRAS, RB1 ACHE 2594/4885KCNN4 3497/4885HSP90AA1 2256/4885
US-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles TPMT, TH, HTR3C ACHE 2655/4885KCNN4 1227/4885HSP90AA1 3763/4885
US-20160280661-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 ACHE 1393/4885KCNN4 4689/4885HSP90AA1 3147/4885

“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.