SCHEMBL230002

SCHEMBL230002

c1ccc(Cn2cnc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 1.00
CYP11B2 P19099 8/20 1.00
TNF P01375 1/20 1.00
HTT P42858 5/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
MAPK1 P28482 2/20 0.77
LMNA P02545 4/20 0.75
ALDH1A1 P00352 1/20 0.69
TDP1 Q9NUW8 1/20 0.66
TSHR P16473 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
HDAC1 Q13547 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
PKM P14618 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
EGLN3 Q9H6Z9 1/20 0.56

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
SCHEMBL31357411 1.00 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL13907295 0.94 CYP11B1 (0.89) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL28610944 0.92 CYP11B1 (0.84) CYP11B1CYP11B2TNFHTTSMN1; SMN2
Piperazine SCHEMBL7388680 0.90 CYP11B1 (0.81) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL9049676 0.90 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL31722842 0.89 CYP11B1 (0.80) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL3177643 0.89 CYP11B1 (0.80) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL8325011 0.87 CYP11B1 (0.77) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL15551049 0.87 CYP11B1 (0.77) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL14042406 0.87 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946141-A Low-cost metal organic fluorescent material for high-power LED illumination 常州大学 2024-04-30 CN claimed
CN-115850345-A Quinoline functional nitrogen heterocyclic carbene ruthenium complex with multiple anti-cancer activities and preparation method thereof 浙江树人学院 2023-03-28 CN claimed
CN-113004206-B Naphthalene derivative fluorescent probe and preparation method and application thereof 齐齐哈尔大学 2022-06-17 CN claimed
CN-113004206-A Naphthalene derivative fluorescent probe and preparation method and application thereof 齐齐哈尔大学 2021-06-22 CN claimed
CN-105921116-B Cation with immixture pattern exchanges Solid Phase Extraction material and its preparation method and application 中国烟草总公司郑州烟草研究院 2018-10-09 CN claimed
CN-106117147-B Miscellaneous tall and erect class compound of naphtho- and the preparation method and application thereof 天津师范大学 2018-10-02 CN claimed
CN-106117147-A Miscellaneous tall and erect compounds of naphtho-and preparation method and application 天津师范大学 2016-11-16 CN claimed
CN-105921116-A Cation exchange solid-phase extraction material with mixing effect mode and preparation method and application thereof 中国烟草总公司郑州烟草研究院 2016-09-07 CN claimed
CN-102173010-A Benzimidazole ionic liquid aid used in rubber processing and preparation method thereof UNIV FUJIAN 2011-09-07 CN claimed
CN-101503392-A Aromatic aminomethane compounds, as well as preparation and medical use thereof UNIV CHINA PHARMA (CN) 2009-08-12 CN claimed
US-20080058525-A1 NOVEL DYE COMPLEXES AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, LLC 2008-03-06 US claimed
WO-2004078874-A2 NOVEL DYE COMPLEXES AND USE THEREOF IN IMAGING MEMBERS AND METHODS POLAROID CORPORATION (US) 2004-09-16 WO claimed
US-20040171817-A1 Novel dye complexes and use thereof in imaging members and methods ZINK HOLDINGS LLC 2004-09-02 US claimed
EP-0628549-B1 New 1-phenylmethyl benzimidazole piperazine derivatives ESPANOLA DE PRODUCTOS FAB (ES) 2000-12-06 EP claimed
EP-0428260-A2 Metal surface treatment agents SANWA LABORATORY LTD. (JP) 1991-05-22 EP claimed
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 US claimed
US-4542394-A MULTILAYER-DIAZONIUM LAYER AND COUPLER LAYER CONTAINING BENZIMIDAZOLE COMPOUND RICOH COMPANY, LTD. (JP) 1985-09-17 US claimed
US-20260015339-A1 CALIX[4]ARENES WITH HIGH ANTICANCER ACTIVITY UNIVERSITE GRENOBLE ALPES (FR) 2026-01-15 US disclosed
US-4542394-A MULTILAYER-DIAZONIUM LAYER AND COUPLER LAYER CONTAINING BENZIMIDAZOLE COMPOUND RICOH COMPANY, LTD. (JP) 1985-09-17 US disclosed
US-4460709-A Process for producing oxygen-containing organic compounds AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1984-07-17 US 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 (2 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-20260015339-A1 CALIX[4]ARENES WITH HIGH ANTICANCER ACTIVITY CBR1, CYP4X1, CBR3 CYP11B1 348/4885CYP11B2 362/4885TNF 4529/4885
US-20080058525-A1 NOVEL DYE COMPLEXES AND USE THEREOF IN IMAGING MEMBERS AND METHODS DBI, HSPE1, ABCB7 CYP11B1 983/4885CYP11B2 1148/4885TNF 4885/4885

“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.