SCHEMBL5117671

SCHEMBL5117671

O=[N+]([O-])c1ncccc1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ MAPT P10636 7/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ CTSB P07858 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ BRD4 O60885 1/20 0.42

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
SCHEMBL29903448 0.86 KMT2A (0.41) ALDH1A1CYP2D6CYP2C9CASP1CYP2C19
SCHEMBL3167072 0.86 KMT2A (0.41) ALDH1A1CYP2D6CYP2C9CASP1CYP2C19
SCHEMBL2125795 0.81 KMT2A (0.43) ALDH1A1CYP2D6CYP2C9CASP1CYP2C19
SCHEMBL540885 0.81 ALDH1A1 (0.52) ALDH1A1CYP2D6CYP2C9CASP1CYP2C19
SCHEMBL8529530 0.81 KMT2A (0.43) ALDH1A1CYP2D6CYP2C9CASP1CYP2C19
SCHEMBL10560805 0.80 KMT2A (0.60) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL28859293 0.79 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL10558577 0.79 KMT2A (0.55) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL27873051 0.79 KMT2A (0.41) ALDH1A1CYP2D6CYP2C9CASP1CYP2C19
SCHEMBL8601536 0.77 PDE4A (0.41) ALDH1A1CASP1HSD17B10KMT2AMEN1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4596759-A Base layer, solid positive working resist consisting of two layers with different solubilities, photosensitive component containing aromatic o-nitrocarbinol esters BASF AKTIENGESELLSCHAFT (DE) 1986-06-24 — — US claimed
CN-110914280-B 6H-thieno [2,3-e ] [1,2,4] triazolo [3,4-c ] [1,2,4] triazab derivatives 阿尤米制药公司 2024-05-03 — — CN disclosed
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative AYUMI PHARMACEUTICAL CORPORATION (JP) 2021-11-30 — — US disclosed
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative AYUMI PHARMACEUTICAL CORPORATION (JP) 2021-11-30 — — US disclosed
US-20210130367-A1 6H-THIENO[2,3-e][1,2,4]TRIAZOLO[3,4-c][1,2,4]TRIAZEPINE DERIVATIVE AYUMI PHARMACEUTICAL CORPORATION (JP) 2021-05-06 — — US disclosed
US-20210130367-A1 6H-THIENO[2,3-e][1,2,4]TRIAZOLO[3,4-c][1,2,4]TRIAZEPINE DERIVATIVE AYUMI PHARMACEUTICAL CORPORATION (JP) 2021-05-06 — — US disclosed
EP-3640253-A1 6H-THIENO[2,3-E][1,2,4]TRIAZOLO[3,4-C][1,2,4]TRIAZEPINE DERIVATIVE AYUMI Pharmaceutical Corporation (JP) 2020-04-22 — — EP disclosed
EP-3640253-A1 6H-THIENO[2,3-E][1,2,4]TRIAZOLO[3,4-C][1,2,4]TRIAZEPINE DERIVATIVE AYUMI Pharmaceutical Corporation (JP) 2020-04-22 — — EP disclosed
CN-110914280-A 6H-thieno [2,3-e ] [1,2,4] triazolo [3,4-c ] [1,2,4] triaza derivatives 阿尤米制药公司 2020-03-24 — — CN disclosed
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-05 — — US disclosed
US-4565771-A Production of gravure printing plates having plastic printing layers BASF AKTIENGESELLSCHAFT (DE) 1986-01-21 — — US disclosed
EP-0155231-A2 Image-producing process CIBA-GEIGY AG (CH) 1985-09-18 — — EP disclosed
EP-0141389-A2 Process for the production of image-wise structured resists, and dry resist therefor BASF Aktiengesellschaft (DE) 1985-05-15 — — EP disclosed
EP-0134574-A1 Curable light-sensitive mixture as a positively working recording material BASF Aktiengesellschaft (DE) 1985-03-20 — — EP disclosed
EP-0132710-A1 Light-sensitive recording material for the production of relief or resist patterns BASF Aktiengesellschaft (DE) 1985-02-13 — — EP disclosed
US-4465760-A Production of relief images or resist images by a negative-working method BASF AKTIENGESELLSCHAFT (DE) 1984-08-14 — — US disclosed
US-4456679-A Production of relief images or resist images by a positive-working method BASF AKTIENGESELLSCHAFT (DE) 1984-06-26 — — US disclosed
EP-0101976-A2 Negative process for obtaining relief or resist patterns BASF Aktiengesellschaft (DE) 1984-03-07 — — EP disclosed
EP-0101587-A2 Positive process for obtaining relief or resist patterns BASF Aktiengesellschaft (DE) 1984-02-29 — — EP disclosed
EP-0101586-A2 Process for the manufacture of plates for intaglio printing using plastic printing foils BASF Aktiengesellschaft (DE) 1984-02-29 — — EP 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-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ALDH1A1 3524/4885CYP2D6 3373/4885CYP2C9 3111/4885
US-20210130367-A1 6H-THIENO[2,3-e][1,2,4]TRIAZOLO[3,4-c][1,2,4]TRIAZEPINE DERIVATIVE BRD4, BRD3, BRD2 ALDH1A1 3279/4885CYP2D6 3024/4885CYP2C9 4140/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 ALDH1A1 3279/4885CYP2D6 3024/4885CYP2C9 4140/4885

“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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