SCHEMBL11042586

SCHEMBL11042586

C[Si](C)(C)OC(C#N)c1c(F)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GAA P10253 3/20 0.49
RIPK1 Q13546 1/20 0.38
MAPT P10636 2/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL11147808 1.00 ALDH1A1 (0.49) ALDH1A1GAARIPK1MAPTGFER
SCHEMBL29723947 1.00 ALDH1A1 (0.49) ALDH1A1GAARIPK1MAPTGFER
SCHEMBL17048718 0.89 ALDH1A1 (0.38) ALDH1A1GAAKDM4EPSMB8PSMB5
SCHEMBL11040692 0.89 ALDH1A1 (0.38) ALDH1A1GAACYP2C9CYP2C19HDAC6
SCHEMBL17048800 0.81 MET (0.43) ALDH1A1GAAMET
SCHEMBL11041797 0.80 ALDH1A1 (0.36) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL11040633 0.77 L3MBTL1 (0.41) ALDH1A1GAAMAPTSMN1; SMN2LMNA
SCHEMBL17048984 0.77 HPGD (0.40) ALDH1A1GAAMAPTSMN1; SMN2LMNA
SCHEMBL19716587 0.76 CES2 (0.34) ALDH1A1
SCHEMBL3295518 0.76 ALDH1A1 (0.36) ALDH1A1GAAMAPTGFERLMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166622-A1 FLUORINATED QUINOLINE, QUINOXALINE AND BENZO[B][1,4]OXAZINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES JANSSEN BIOTECH, INC. 2024-05-23 US disclosed
CN-114630826-A Fluorinated quinoline, quinoxaline and benzo [ b ] [1,4] oxazine derivatives as dihydroorotate dehydrogenase (DHODH) inhibitors for the treatment of cancer, autoimmune and inflammatory diseases 詹森生物科技公司 2022-06-14 CN disclosed
WO-2021084498-A1 FLUORINATED QUINOLINE, QUINOXALINE AND BENZO[B][1,4]OXAZINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES JANSSEN BIOTECH, INC. (US) 2021-05-06 WO disclosed
US-4448971-A Hypoglycemic 5-phenyl-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1984-05-15 US disclosed
US-4407811-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1983-10-04 US disclosed
US-4399296-A TRIMETHYLSILYL CYANOHYDRIN INTERMEDIATES PFIZER INC. (US) 1983-08-16 US disclosed
US-4367234-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-01-04 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 (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-20240166622-A1 FLUORINATED QUINOLINE, QUINOXALINE AND BENZO[B][1,4]OXAZINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES DHODH, XDH, NQO2 ALDH1A1 53/4885GAA 918/4885RIPK1 3468/4885

“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.