SCHEMBL4351637

SCHEMBL4351637

O=C(NCCCO)c1cc[c]cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.45
NAAA Q02083 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL1416276 0.89 POLB (0.51) POLBALDH1A1MAPK1KDM4EHPGD
SCHEMBL9717433 0.86 POLB (0.68) POLBALDH1A1MAPK1NPC1RAB9A
SCHEMBL3115279 0.85 DRD2 (0.47) POLBALDH1A1MAPK1NPC1RAB9A
SCHEMBL3035405 0.84 CYP1A2 (0.50) ALDH1A1MAPK1NPC1RAB9ANAAA
SCHEMBL4158767 0.84 SMN1; SMN2 (0.62) ALDH1A1NPC1RAB9AHPGDHTT
SCHEMBL2385706 0.83 HPGD (0.64) POLBALDH1A1NPC1RAB9AKDM4E
SCHEMBL4180665 0.82 NAAA (0.68) ALDH1A1MAPK1NPC1RAB9AHPGD
SCHEMBL9771650 0.82 MAPK1 (0.67) ALDH1A1MAPK1NPC1RAB9AKDM4E
SCHEMBL3034216 0.82 ALDH1A1 (0.50) POLBALDH1A1MAPK1NPC1RAB9A
SCHEMBL2021484 0.81 NPC1 (0.68) POLBALDH1A1NPC1RAB9AKDM4E

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-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP claimed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US claimed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP claimed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN claimed
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP disclosed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US disclosed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP disclosed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN disclosed
CN-107344941-A Tetrahydropyrazolopyrimidine compounds 卫材R&D管理有限公司 2017-11-14 CN disclosed
CN-104507939-B tetrahydropyrazolopyrimidine compounds 卫材R&D管理有限公司 2017-07-25 CN disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 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 (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-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 POLB 1975/4885ALDH1A1 631/4885MAPK1 3817/4885

“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.