SCHEMBL16090306

SCHEMBL16090306

Cc1nc(-c2ccccc2)oc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.50
▸ RAB9A P51151 10/20 0.46
▸ NPC1 O15118 9/20 0.46
▸ SMN1; SMN2 Q16637 9/20 0.46
▸ HPGD P15428 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ POLB P06746 3/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ NFKB2 Q00653 2/20 0.46
▸ RELA Q04206 2/20 0.46
▸ NR1H4 Q96RI1 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TSHR P16473 3/20 0.42

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
SCHEMBL14776733 0.80 KDM4E (0.51) GAARAB9ANPC1SMN1; SMN2HPGD
SCHEMBL436384 0.79 GAA (0.57) GAARAB9ANPC1SMN1; SMN2HPGD
SCHEMBL25180859 0.79 MAPT (0.54) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL15716531 0.78 IKBKB (0.56) GAARAB9ANPC1SMN1; SMN2HPGD
SCHEMBL869242 0.78 GAA (0.51) GAARAB9ANPC1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL15716993 0.76 IKBKB (0.54) GAARAB9ANPC1SMN1; SMN2HPGD
SCHEMBL5536086 0.76 GAA (0.50) GAARAB9ANPC1SMN1; SMN2HPGD
SCHEMBL272772 0.76 NPC1 (0.50) GAARAB9ANPC1SMN1; SMN2HPGD
SCHEMBL14431592 0.76 GAA (0.54) GAARAB9ANPC1SMN1; SMN2HPGD
SCHEMBL13407782 0.76 GAA (0.50) GAARAB9ANPC1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2950153-B1 ELECTROPHOTOGRAPHIC MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KK (JP) 2020-04-15 — — EP disclosed
US-9639009-B2 Electrophotographic member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-05-02 — — US disclosed
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 — — US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 — — EP disclosed
EP-2950153-A1 ELECTROPHOTOGRAPHIC MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS Canon Kabushiki Kaisha (JP) 2015-12-02 — — EP disclosed
US-20150331341-A1 ELECTROPHOTOGRAPHIC MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2015-11-19 — — US disclosed
US-9187454-B2 Inhibitors of kinases and cancer stem cells, and methods of preparation and use thereof BOSTON BIOMEDICAL, INC. (US) 2015-11-17 — — US disclosed
US-9187454-B2 Inhibitors of kinases and cancer stem cells, and methods of preparation and use thereof BOSTON BIOMEDICAL, INC. (US) 2015-11-17 — — US disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 — — WO disclosed
US-20140275033-A1 INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF BOSTON BIOMEDICAL, INC. 2014-09-18 — — US disclosed
US-20140275033-A1 INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF BOSTON BIOMEDICAL, INC. 2014-09-18 — — 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 (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-20140275033-A1 INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF MAP3K1, MAP3K6, MAP3K9 GAA 1953/4885RAB9A 1302/4885NPC1 3118/4885
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 GAA 4276/4885RAB9A 1766/4885NPC1 1283/4885

“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.

Send feedback