SCHEMBL1012564

SCHEMBL1012564

COC(=O)c1cc(OCCCl)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 1/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 4/20 0.49
PKM P14618 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1012714 1.00 POLB (0.52) POLBHTTNPC1CYP3A4LMNA
SCHEMBL1011872 0.95 POLB (0.52) POLBHTTNPC1CYP3A4LMNA
SCHEMBL1012270 0.95 POLB (0.52) POLBHTTNPC1CYP3A4LMNA
SCHEMBL25040483 0.94 POLB (0.51) POLBHTTNPC1CYP3A4LMNA
SCHEMBL4372581 0.94 POLB (0.51) POLBHTTNPC1CYP3A4LMNA
SCHEMBL2149235 0.91 HTT (0.55) POLBHTTNPC1CYP3A4LMNA
SCHEMBL14705129 0.91 HTT (0.55) POLBHTTNPC1CYP3A4LMNA
SCHEMBL5964493 0.90 POLB (0.54) POLBHTTNPC1CYP3A4LMNA
SCHEMBL1012859 0.88 POLB (0.56) POLBHTTNPC1CYP3A4LMNA
SCHEMBL4376591 0.88 LMNA (0.50) POLBHTTNPC1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes ACADEMIA SINICA (TW) 2026-04-21 US disclosed
EP-4069252-B1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING SS-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (CN) 2025-12-10 EP disclosed
CN-114761025-B PDIA4 inhibitors and their use for inhibiting beta cell pathologies and for treating diabetes 施明哲 2024-03-12 CN disclosed
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 US disclosed
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 US disclosed
CN-114761025-A PDIA4 inhibitor and application thereof in inhibiting beta cell pathology and treating diabetes 施明哲 2022-07-15 CN disclosed
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 US disclosed
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 EP disclosed
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 US disclosed
US-9730937-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-15 US disclosed
US-9320739-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-04-26 US disclosed
EP-2947072-A1 1-(3-(6,7-DIMETHOXYQUINAZOLIN-4-YLOXY)PHENYL)-3-(5-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)ISOXAZOL-3-YL)UREA AS RAF KINASE MODULATOR IN THE TREATMENT OF CANCER DISEASES Ambit Biosciences Corporation (US) 2015-11-25 EP disclosed
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2015-09-03 US disclosed
EP-2268623-B1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2015-05-06 EP disclosed
US-8969587-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2015-03-03 US disclosed
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2014-02-13 US disclosed
US-8618289-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-12-31 US disclosed
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2011-05-19 US disclosed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 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 (7 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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF POLB 2074/4885HTT 3669/4885NPC1 2965/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF POLB 2867/4885HTT 2344/4885NPC1 2327/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF POLB 2074/4885HTT 3669/4885NPC1 2965/4885
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF POLB 2074/4885HTT 3669/4885NPC1 2965/4885
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes PDIA4, PDIA5, PDIA6 POLB 4409/4885HTT 3288/4885NPC1 1919/4885
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES PDIA4, PDIA6, PDIA5 POLB 4041/4885HTT 3906/4885NPC1 2048/4885
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF POLB 2074/4885HTT 3669/4885NPC1 2965/4885

“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.