SCHEMBL6448561

SCHEMBL6448561

O=[N+]([O-])c1ccc(-n2nccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.50
MAPT P10636 4/20 0.48
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SIRT6 Q8N6T7 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
ADRB1 P08588 1/20 0.46
ACHE P22303 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6332679 0.88 L3MBTL1 (0.63) MAPTALDH1A1POLB
SCHEMBL1186577 0.79 KMT2A (0.50) SCN2AMAPTHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL10799631 0.77 KMT2A (0.49) SCN2AMAPTHTTMEN1KMT2A
SCHEMBL2627226 0.77 SCN2A (0.57) SCN2AMAPTMEN1KMT2AALDH1A1
SCHEMBL30782027 0.77 SCN2A (0.57) SCN2AMAPTMEN1KMT2AALDH1A1
SCHEMBL13298656 0.75 KDM4E (0.55) SCN2AMAPTHTTMEN1KMT2A
SCHEMBL17678275 0.74 HTT (0.55) MAPTHTTMEN1KMT2ASIRT6
SCHEMBL27909482 0.74 ALDH1A1 (0.72) MEN1KMT2AALDH1A1ACHEHSD17B10
SCHEMBL22567 0.74 ALDH1A1 (0.72) MEN1KMT2AALDH1A1ACHEHSD17B10
SCHEMBL4449726 0.73 NOTUM (0.55) SCN2AMAPTHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623372-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH INC (US) 2026-02-04 EP disclosed
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2024-06-25 US disclosed
US-11993595-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2024-05-28 US disclosed
CN-111592534-B New compounds 特殊治疗有限公司 2023-06-30 CN disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
US-11472798-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2022-10-18 US disclosed
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2021-10-28 US disclosed
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2021-10-28 US disclosed
EP-3828179-A1 CYANOPYRROLIDINES AS DUB MODULATORS Mission Therapeutics Limited (GB) 2021-06-02 EP disclosed
US-10934299-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-03-02 US disclosed
EP-1394162-A1 Intermediates of azole antifungal agents and processes for the preparation thereof Eisai Co., Ltd. (JP) 2004-03-03 EP disclosed
EP-1231210-A2 Azole antifungal agents, processes for the preparation thereof, and intermediates Eisai Co., Ltd. (JP) 2002-08-14 EP disclosed
CN-1087017-C Azole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-07-03 CN disclosed
US-6362206-B1 FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-26 US disclosed
US-6034248-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
US-5792781-A EFFECTIVE AGAINST DERMATOMYCOSIS/VISCEROMYCOSIS CAUSED BY FUNGI, I.E., CANDIDA ALBICANS EISAI CO., LTD. (JP) 1998-08-11 US disclosed
US-5789429-A FUNGICIDE EISAI CO., LTD. (JP) 1998-08-04 US disclosed
CN-1175950-A Azole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-03-11 CN disclosed
US-5648372-A TRIAZOLES EISAI CO., LTD. (JP) 1997-07-15 US disclosed
EP-0667346-A2 Azole antifungal agents, process for the preparation there of and intermediates Eisai Co., Ltd. (JP) 1995-08-16 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 (6 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-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 SCN2A 4565/4885MAPT 1391/4885HTT 1255/4885
US-11472798-B2 Compounds UCHL1, UCHL3, UCHL5 SCN2A 4277/4885MAPT 2227/4885HTT 554/4885
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 SCN2A 4565/4885MAPT 1391/4885HTT 1255/4885
US-11993595-B2 Compounds UCHL1, UCHL3, UCHL5 SCN2A 4277/4885MAPT 2227/4885HTT 554/4885
US-10934299-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 SCN2A 4565/4885MAPT 1391/4885HTT 1255/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 SCN2A 4195/4885MAPT 2428/4885HTT 559/4885

“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.