SCHEMBL17669136

SCHEMBL17669136

O=[N+]([O-])c1ccccc1OCCOCCO

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.75
RAB9A P51151 3/20 0.75
RECQL P46063 2/20 0.75
ALDH1A1 P00352 9/20 0.71
LMNA P02545 2/20 0.71
KDM4E B2RXH2 4/20 0.61
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 2/20 0.53
POLB P06746 1/20 0.51
KCNH2 Q12809 1/20 0.51
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL17668974 1.00 NPC1 (0.75) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL13435257 0.92 NPC1 (0.89) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL13531827 0.92 NPC1 (0.89) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL29960037 0.90 RAB9A (0.79) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL1538505 0.90 RAB9A (0.79) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL27766600 0.88 RAB9A (0.65) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL9187561 0.87 NPC1 (1.00) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL17669085 0.86 NPC1 (0.63) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL7343243 0.85 NPC1 (0.77) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL23221367 0.84 NPC1 (0.75) NPC1RAB9ARECQLALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108527-B Ataxia telangiectasia and Rad 3-Associated (ATR) protein kinase inhibitors 阿特林制药有限责任公司 2022-08-02 CN disclosed
EP-3207031-B1 ATAXIA TELENGIECTASIA AND RAD3-RELATED (ATR) PROTEIN KINASE INHIBITORS Atrin Pharmaceuticals LLC (US) 2021-04-14 EP disclosed
EP-3207031-B1 ATAXIA TELENGIECTASIA AND RAD3-RELATED (ATR) PROTEIN KINASE INHIBITORS Atrin Pharmaceuticals LLC (US) 2021-04-14 EP disclosed
US-10196405-B2 Ataxia telengiectasia and Rad3-related (ATR) protein kinase inhibitors Atrin Pharmaceuticals LLC (US) 2019-02-05 US disclosed
US-10196405-B2 Ataxia telengiectasia and Rad3-related (ATR) protein kinase inhibitors Atrin Pharmaceuticals LLC (US) 2019-02-05 US disclosed
US-9981989-B2 Ataxia telengiectasia and Rad3-related (ATR) protein kinase inhibitors Atrin Pharmaceuticals LLC (US) 2018-05-29 US disclosed
US-9981989-B2 Ataxia telengiectasia and Rad3-related (ATR) protein kinase inhibitors Atrin Pharmaceuticals LLC (US) 2018-05-29 US disclosed
US-9981989-B2 Ataxia telengiectasia and Rad3-related (ATR) protein kinase inhibitors Atrin Pharmaceuticals LLC (US) 2018-05-29 US disclosed
EP-3207031-A1 ATAXIA TELENGIECTASIA AND RAD3-RELATED (ATR) PROTEIN KINASE INHIBITORS Atrin Pharmaceuticals LLC (US) 2017-08-23 EP disclosed
US-20170226130-A1 Ataxia Telengiectasia And Rad3-Related (ATR) Protein Kinase Inhibitors Atrin Pharmaceuticals LLC (US) 2017-08-10 US disclosed
US-20170226130-A1 Ataxia Telengiectasia And Rad3-Related (ATR) Protein Kinase Inhibitors Atrin Pharmaceuticals LLC (US) 2017-08-10 US disclosed
US-20170226130-A1 Ataxia Telengiectasia And Rad3-Related (ATR) Protein Kinase Inhibitors Atrin Pharmaceuticals LLC (US) 2017-08-10 US disclosed
US-9663535-B2 Ataxia telengiectasia and Rad3-related (ATR) protein kinase inhibitors Atrin Pharmaceuticals LLC (US) 2017-05-30 US disclosed
US-9663535-B2 Ataxia telengiectasia and Rad3-related (ATR) protein kinase inhibitors Atrin Pharmaceuticals LLC (US) 2017-05-30 US disclosed
US-9663535-B2 Ataxia telengiectasia and Rad3-related (ATR) protein kinase inhibitors Atrin Pharmaceuticals LLC (US) 2017-05-30 US disclosed
WO-2016061097-A1 ATAXIA TELENGIECTASIA AND RAD3-RELATED (ATR) PROTEIN KINASE INHIBITORS Atrin Pharmaceuticals LLC (US) 2016-04-21 WO disclosed
WO-2016061097-A1 ATAXIA TELENGIECTASIA AND RAD3-RELATED (ATR) PROTEIN KINASE INHIBITORS Atrin Pharmaceuticals LLC (US) 2016-04-21 WO disclosed
US-20160102104-A1 Ataxia Telengiectasia And Rad3-Related (ATR) Protein Kinase Inhibitors Atrin Pharmaceuticals LLC (US) 2016-04-14 US disclosed
US-20160102104-A1 Ataxia Telengiectasia And Rad3-Related (ATR) Protein Kinase Inhibitors Atrin Pharmaceuticals LLC (US) 2016-04-14 US disclosed
US-20160102104-A1 Ataxia Telengiectasia And Rad3-Related (ATR) Protein Kinase Inhibitors Atrin Pharmaceuticals LLC (US) 2016-04-14 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 (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-20170226130-A1 Ataxia Telengiectasia And Rad3-Related (ATR) Protein Kinase Inhibitors CHEK2, ATR, CHEK1 NPC1 4190/4885RAB9A 1054/4885RECQL 20/4885
US-20160102104-A1 Ataxia Telengiectasia And Rad3-Related (ATR) Protein Kinase Inhibitors ATR, CHEK1, CHEK2 NPC1 4772/4885RAB9A 1829/4885RECQL 84/4885
US-10196405-B2 Ataxia telengiectasia and Rad3-related (ATR) protein kinase inhibitors CHEK2, ATR, CHEK1 NPC1 4202/4885RAB9A 1049/4885RECQL 20/4885

“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.