SCHEMBL105262

SCHEMBL105262

CC(C)c1ccccc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.55
HPGD P15428 2/20 0.52
TSHR P16473 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
HSD17B10 Q99714 1/20 0.52
METAP2 P50579 1/20 0.48
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
HTT P42858 1/20 0.47
BCAT2 O15382 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
LMNA P02545 2/20 0.44
FAAH O00519 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL31632660 1.00 IRAK4 (0.55) IRAK4HPGDTSHRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL28294057 0.98 IRAK4 (0.53) IRAK4HPGDTSHRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7849679 0.98 IRAK4 (0.53) IRAK4HPGDTSHRKDM4EALDH1A1
Phosphonic Acid SCHEMBL16236589 0.92 IRAK4 (0.49) IRAK4HPGDTSHRKDM4EALDH1A1
Formic Acid SCHEMBL15389360 0.92 IRAK4 (0.49) IRAK4HPGDTSHRKDM4EALDH1A1
SCHEMBL28292380 0.90 L3MBTL1 (0.49) IRAK4HPGDTSHRKDM4EALDH1A1
SCHEMBL9783644 0.89 IRAK4 (0.53) IRAK4HPGDTSHRKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL3299438 0.87 IRAK4 (0.45) IRAK4HPGDTSHRKDM4EALDH1A1
SCHEMBL305563 0.87 IRAK4 (0.52) IRAK4HPGDTSHRKDM4EALDH1A1
SCHEMBL731619 0.87 IRAK4 (0.52) IRAK4HPGDTSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232020-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH INHIBITORS OF MENIN Kura Oncology, Inc. (US) 2023-08-30 EP claimed
CN-112585140-B Optically active azabicyclo derivatives 住友制药株式会社 2023-07-04 CN claimed
WO-2022155419-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2022-07-21 WO claimed
US-11369605-B2 Optically active azabicyclo ring derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-28 US claimed
WO-2022086986-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH INHIBITORS OF MENIN KURA ONCOLOGY, INC. (US) 2022-04-28 WO claimed
CN-112585140-A Optically active azabicyclo derivatives 大日本住友制药株式会社 2021-03-30 CN claimed
US-20200131157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2020-04-30 US claimed
CN-110511215-A A kind of aryl piperazines/piperidines and application thereof UNIV FUDAN 2019-11-29 CN claimed
CN-110283094-A A kind of synthesis technology of anticancer drug procarbazine 苏州岚云医药科技有限公司 2019-09-27 CN claimed
CN-110167556-A Thio-hydantoin androgen receptor antagonist for treating cancer 詹森药业有限公司 2019-08-23 CN claimed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 WO claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
WO-2001074775-A1 INDOLIN-2-ONE DERIVATIVES, PREPARATION AND THEIR USE AS OCYTOCIN RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2001-10-11 WO claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2001034133-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
WO-2001034134-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
WO-2001034199-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-11369605-B2 Optically active azabicyclo ring derivative MLLT3, MEN1, MLLT1 IRAK4 2151/4885HPGD 4619/4885TSHR 3676/4885
US-20200131157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC3 IRAK4 1874/4885HPGD 617/4885TSHR 3688/4885

“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.