SCHEMBL4626334

SCHEMBL4626334

CC(CO)NCC(O)c1ccc(O)c2ncccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.79
▸ HIF1A Q16665 1/20 0.79
▸ IDO1 P14902 3/20 0.48
▸ KDM4E B2RXH2 7/20 0.47
▸ HTT P42858 4/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SLC6A2 P23975 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ COMT P21964 2/20 0.42
▸ ALOX12 P18054 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSP90AA1 P07900 2/20 0.41
▸ MPI P34949 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ METAP2 P50579 1/20 0.41

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
Quinterenol SCHEMBL11538969 0.88 CYP2C19 (1.00) CYP2C19HIF1AIDO1KDM4EHTT
Hydrochloric Acid SCHEMBL30339888 0.81 CYP2C19 (0.64) CYP2C19HIF1AKDM4ERAB9AMAPT
Hydrochloric Acid SCHEMBL28360013 0.81 CYP2C19 (0.64) CYP2C19HIF1AKDM4ERAB9AMAPT
SCHEMBL28124508 0.77 CYP2C19 (0.66) CYP2C19HIF1AIDO1KDM4EHTT
SCHEMBL28124509 0.77 CYP2C19 (0.66) CYP2C19HIF1AIDO1KDM4EHTT
SCHEMBL14456227 0.76 CYP2C19 (0.64) CYP2C19HIF1AIDO1KDM4EHTT
SCHEMBL13797358 0.75 CYP2C19 (0.62) CYP2C19HIF1AIDO1KDM4EHTT
SCHEMBL11277500 0.73 CYP2C19 (0.60) CYP2C19HIF1AIDO1KDM4EHTT
Hydrochloric Acid SCHEMBL29089156 0.71 KDM4E (0.52) CYP2C19HIF1AIDO1KDM4EHTT
Hydrochloric Acid SCHEMBL28404971 0.71 HIF1A (0.61) CYP2C19HIF1AIDO1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306162-A1 Treatment of Inflammatory Disorders and Pain SOSEI R&D LTD. (GB) 2008-12-11 — — US claimed
US-20080306162-A1 Treatment of Inflammatory Disorders and Pain SOSEI R&D LTD. (GB) 2008-12-11 — — US disclosed
EP-1896393-A1 THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN Sosei R&D Ltd. (GB) 2008-03-12 — — EP disclosed
WO-2007003896-A1 THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN SOSEI R & D LTD. (GB) 2007-01-11 — — 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-20080306162-A1 Treatment of Inflammatory Disorders and Pain HRH3, OPRL1, HRH2 CYP2C19 2793/4885HIF1A 1202/4885IDO1 1081/4885

“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.

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