SCHEMBL21594374

SCHEMBL21594374

[N-]=[N+]=NCc1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 1/20 0.48
▸ TSHR P16473 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ KAT2B Q92831 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ CA12 O43570 5/20 0.41
▸ CA2 P00918 5/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ CA9 Q16790 4/20 0.39
▸ MPO P05164 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL30255838 1.00 HSPA5 (0.48) HSPA5TSHRCYP2D6HIF1ATAAR1
SCHEMBL28312340 0.84 KAT2B (0.47) KAT2BMCL1KDM4E
SCHEMBL23852714 0.82 TAAR1 (0.50) HSPA5TSHRCYP2D6HIF1ATAAR1
SCHEMBL18606929 0.76 TYR (0.52) TSHRMCL1MAPT
SCHEMBL10505405 0.76 HSPA5 (0.54) HSPA5TSHRCYP2D6HIF1ATAAR1
SCHEMBL16016173 0.75 TAAR1 (0.42) TSHRTAAR1KAT2BMAPT
SCHEMBL15923101 0.75 TAAR1 (0.43) TAAR1KAT2BIDO1
SCHEMBL17399958 0.75 KAT2B (0.41) TSHRKAT2BMCL1
SCHEMBL23293650 0.75 TAAR1 (0.42) TSHRCYP2D6TAAR1KAT2BMCL1
SCHEMBL14911695 0.75 IDO1 (0.45) TAAR1KAT2BIDO1

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 6 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 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
WO-2019238057-A1 APPLICATION OF FSO2N3 IN PREPARATION OF AZIDE 中国科学院上海有机化学研究所 2019-12-19 — — WO disclosed
CN-1762029-A Power cable compositions for strippable adhesion DOW GLOBAL TECHNOLOGIES INC (US) 2006-04-19 — — CN 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 HSPA5 4599/4885TSHR 1858/4885CYP2D6 44/4885

“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