SCHEMBL4476538

SCHEMBL4476538

O=C(Nc1cnc2[nH]c(-c3ccc(N4CCOCC4)nc3)nc2c1)c1ccccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.67
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.52
PPARG P37231 1/20 0.51
CNR2 P34972 2/20 0.49
DGAT1 O75907 4/20 0.49
ATR Q13535 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NR2E3 Q9Y5X4 4/20 0.47
MAPK1 P28482 1/20 0.45
AKT1 P31749 1/20 0.45
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL4460878 0.91 RAB9A (0.57) RAB9ANPC1DGAT1LMNAMAPT
SCHEMBL4481398 0.81 MT-CO2 (0.50) RAB9ANPC1LMNAMAPTSMN1; SMN2
SCHEMBL2979954 0.81 MAPT (0.44) RAB9ANPC1CYP1A2DGAT1ATR
SCHEMBL4477969 0.81 NR2E3 (0.55) RAB9ANPC1MAPTNR2E3
SCHEMBL4472721 0.81 NR2E3 (0.59) NR2E3
SCHEMBL1136446 0.79 KMT2A (0.50) RAB9ANPC1CYP1A2PPARGDGAT1
SCHEMBL4473673 0.77 NR2E3 (0.54) MAPTNR2E3
SCHEMBL4479479 0.76 NR2E3 (0.53) RAB9ANPC1MAPTSMN1; SMN2NR2E3
SCHEMBL4483144 0.76 NR2E3 (0.52) RAB9ACYP1A2PPARGLMNAMAPT
SCHEMBL4473723 0.76 KMT2A (0.57) MAPTSMN1; SMN2NR2E3MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618964-B2 Benzamide derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-11-17 US claimed
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2008-02-14 US claimed
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2021-08-19 US disclosed
CN-112755193-A Method of treating malignancies with anti-tyrosine kinase inhibitors using dianhydrogalactitol or a derivative thereof 德玛医药 2021-05-07 CN disclosed
EP-2872161-B1 DIANHYDROGALACTITOL FOR USE IN TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS DEL MAR PHARMACEUTICALS (CA) 2020-12-16 EP disclosed
US-20150182490-A1 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2015-07-02 US disclosed
EP-2872161-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF Del Mar Pharmaceuticals (CA) 2015-05-20 EP disclosed
WO-2014004376-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF DEL MAR PHARMACEUTICALS (CA) 2014-01-03 WO disclosed
US-7618964-B2 Benzamide derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-11-17 US disclosed
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2008-02-14 US disclosed
EP-1833829-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2007-09-19 EP disclosed
WO-2006066913-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 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 (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-20150182490-A1 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF WHR1, AIPL1, TDP1 RAB9A 4675/4885NPC1 4189/4885CYP1A2 4534/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 RAB9A 4685/4885NPC1 4268/4885CYP1A2 4656/4885
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents TMBIM6, BAK1, CYP3A5 RAB9A 1396/4885NPC1 847/4885CYP1A2 64/4885

“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.