SCHEMBL3143338

SCHEMBL3143338

Cc1cccc(C(O)c2cncn2Cc2ccccc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
CYP11B1 P15538 8/20 0.43
CYP11B2 P19099 8/20 0.43
IDO1 P14902 2/20 0.43
P2RX7 Q99572 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
HPGDS O60760 1/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
Hydrochloric Acid SCHEMBL10642099 0.99 HSP90AA1 (0.43) HSP90AA1HSP90AB1CYP11B1CYP11B2IDO1
SCHEMBL14000466 0.87 CYP11B1 (0.46) HSP90AA1HSP90AB1CYP11B1CYP11B2IDO1
SCHEMBL31181858 0.87 CYP11B1 (0.46) HSP90AA1HSP90AB1CYP11B1CYP11B2IDO1
SCHEMBL8052945 0.84 GAA (0.38) HSP90AA1HSP90AB1IDO1P2RX7CYP3A4
SCHEMBL10794314 0.81 CYP11B1 (0.44) HSP90AA1HSP90AB1CYP11B1CYP11B2IDO1
SCHEMBL10794979 0.79 CYP11B1 (0.44) HSP90AA1HSP90AB1CYP11B1CYP11B2IDO1
SCHEMBL9641140 0.78 HSP90AA1 (0.41) HSP90AA1HSP90AB1CYP11B1CYP11B2IDO1
SCHEMBL9120568 0.78 CYP19A1 (0.42) HSP90AA1HSP90AB1CYP11B1CYP11B2IDO1
SCHEMBL10790711 0.76 CYP11B1 (0.54) HSP90AA1HSP90AB1CYP11B1CYP11B2IDO1
SCHEMBL6774868 0.76 CYP11B1 (0.54) HSP90AA1HSP90AB1CYP11B1CYP11B2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323929-A1 Purified Detomidine, Process of Preparing and Methods of Use CLEXIO BIOSCIENCES LTD (IL) 2021-10-21 US claimed
WO-2021037755-A1 DETOMIDINE HYDROCHLORIDE MONOHYDRATE SACHSE ANDREAS (DE) 2021-03-04 WO claimed
EP-3782989-A1 DETOMIDINE HYDROCHLORIDE MONOHYDRATE Sachse, Andreas (DE) 2021-02-24 EP claimed
US-20230398098-A1 TOPICAL DETOMIDINE FORMULATIONS CLEXIO BIOSCIENCES LTD. (IL) 2023-12-14 US disclosed
US-20210323929-A1 Purified Detomidine, Process of Preparing and Methods of Use CLEXIO BIOSCIENCES LTD (IL) 2021-10-21 US disclosed
US-20210220336-A1 TOPICAL DETOMIDINE FORMULATIONS CLEXIO BIOSCIENCES LTD. (IL) 2021-07-22 US disclosed
EP-3782989-A1 DETOMIDINE HYDROCHLORIDE MONOHYDRATE Sachse, Andreas (DE) 2021-02-24 EP disclosed
WO-2020016827-A4 PURIFIED CRYSTALLINE DETOMIDINE HYDROCHLORIDE MONOHYDRATE, ANHYDRATE AND FREE BASE WITH LOW AMOUNTS OF ISO-DETOMIDINE AND OTHER IMPURITIES BY RECRYSTALLISATION IN WATER CLEXIO BIOSCIENCES LTD. (IL) 2020-03-19 WO disclosed
WO-2020016827-A1 PURIFIED CRYSTALLINE DETOMIDINE HYDROCHLORIDE MONOHYDRATE, ANHYDRATE AND FREE BASE WITH LOW AMOUNTS OF ISO-DETOMIDINE AND OTHER IMPURITIES BY RECRYSTALLISATION IN WATER CLEXIO BIOSCIENCES LTD. (IL) 2020-01-23 WO disclosed
WO-2020016827-A1 PURIFIED CRYSTALLINE DETOMIDINE HYDROCHLORIDE MONOHYDRATE, ANHYDRATE AND FREE BASE WITH LOW AMOUNTS OF ISO-DETOMIDINE AND OTHER IMPURITIES BY RECRYSTALLISATION IN WATER CLEXIO BIOSCIENCES LTD. (IL) 2020-01-23 WO disclosed
US-7728147-B2 Detomidine hydrochloride crystallization method ORION CORPORATION (FI) 2010-06-01 US disclosed
US-7728147-B2 Detomidine hydrochloride crystallization method ORION CORPORATION (FI) 2010-06-01 US disclosed
US-7728147-B2 Detomidine hydrochloride crystallization method ORION CORPORATION (FI) 2010-06-01 US disclosed
US-20080287685-A1 Detomidine Hydrochloride Crystallization Method ORION CORPORATION (FI) 2008-11-20 US disclosed
US-20080287685-A1 Detomidine Hydrochloride Crystallization Method ORION CORPORATION (FI) 2008-11-20 US disclosed
US-20080287685-A1 Detomidine Hydrochloride Crystallization Method ORION CORPORATION (FI) 2008-11-20 US disclosed
WO-2006108910-A1 DETOMIDINE HYDROCHLORIDE CRYSTALLIZATION METHOD ORION CORPORATION (FI) 2006-10-19 WO disclosed
EP-0146228-B1 SUBSTITUTED 2-MERCAPTO-IMIDAZOLES AND THEIR PREPARATION AND USE Farmos-Yhtyma Oy (FI) 1988-01-20 EP disclosed
US-4584383-A Substituted 2-mercapto-imidazoles and their preparation FARMOS YHTYMA-OY (FI) 1986-04-22 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 (4 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-20210323929-A1 Purified Detomidine, Process of Preparing and Methods of Use QDPR, DCTD, NEFM HSP90AA1 2055/4885HSP90AB1 2522/4885CYP11B1 1089/4885
US-20230398098-A1 TOPICAL DETOMIDINE FORMULATIONS QDPR, DDT, DCTD HSP90AA1 1933/4885HSP90AB1 2117/4885CYP11B1 1940/4885
US-20210220336-A1 TOPICAL DETOMIDINE FORMULATIONS QDPR, DDT, DCTD HSP90AA1 1933/4885HSP90AB1 2117/4885CYP11B1 1940/4885
US-20080287685-A1 Detomidine Hydrochloride Crystallization Method DDT, QDPR, NEFM HSP90AA1 296/4885HSP90AB1 413/4885CYP11B1 269/4885

“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.