SCHEMBL276858

SCHEMBL276858

[O]c1cccc2ccoc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
EED O75530 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL28865454 0.98 MEN1 (0.37) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL104411 0.71 MEN1 (0.38) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL6261842 0.71 ADORA2A (0.42) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL824960 0.71 NPC1 (0.46) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL276859 0.71 ADORA2A (0.42) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL3798990 0.71 CYP1A2 (0.41) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL2007380 0.71 MEN1 (0.38) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL288995 0.71 MEN1 (0.38) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL2589546 0.71 MEN1 (0.38) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL5424464 0.71 MEN1 (0.38) MEN1NPC1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689396-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use JANSSEN PHARMACEUTICA NV (BE) 2020-06-23 US claimed
EP-3386992-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE Janssen Pharmaceutica, N.V. (BE) 2018-10-17 EP claimed
WO-2018103058-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2018-06-14 WO claimed
US-20170283431-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2017-10-05 US claimed
WO-2017100668-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2017-06-15 WO claimed
US-11884673-B2 Modulators of ion channel receptors and uses thereof BIONOMICS LIMITED (AU) 2024-01-30 US disclosed
EP-3615502-B1 THERAPEUTIC COMPOUNDS AND METHODS UNIV TASMANIA (AU) 2023-06-21 EP disclosed
CN-113105475-B Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2022-09-09 CN disclosed
US-11384085-B2 Modulators of ion channel receptors and uses thereof BIONOMICS LIMITED (AU) 2022-07-12 US disclosed
US-20210230157-A1 PAIN TREATING COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2021-07-29 US disclosed
US-20210230165-A1 MODULATORS OF ION CHANNEL RECEPTORS AND USES THEREOF BIONOMICS LIMITED (AU) 2021-07-29 US disclosed
CN-113105475-A Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2021-07-13 CN disclosed
EP-1819692-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2007-08-22 EP disclosed
WO-2007005450-A2 IMPROVED PROCESS FOR PREPARING (DISUBSTITUTEDPROPENYL) PHENYLALKYL SUBSTITUTED HETEROCYCLES BAYER CROPSCIENCE AG (DE) 2007-01-11 WO disclosed
WO-2006096911-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF HARVEY ANDREW J (AU) 2006-09-21 WO disclosed
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 CN disclosed
WO-2006062240-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 WO disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 US disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 WO 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 (7 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-10689396-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use ABL1, BTK, MYLK2 MEN1 2461/4885NPC1 3143/4885CYP1A2 2987/4885
US-20210230165-A1 MODULATORS OF ION CHANNEL RECEPTORS AND USES THEREOF TRPV1, TRPM8, TRPV2 MEN1 4751/4885NPC1 1634/4885CYP1A2 4264/4885
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 MEN1 2504/4885NPC1 4052/4885CYP1A2 434/4885
US-20210230157-A1 PAIN TREATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, TRPV3 MEN1 4244/4885NPC1 1070/4885CYP1A2 2613/4885
US-11384085-B2 Modulators of ion channel receptors and uses thereof TRPV1, TRPM8, TRPV2 MEN1 4751/4885NPC1 1634/4885CYP1A2 4264/4885
US-11884673-B2 Modulators of ion channel receptors and uses thereof TRPV1, TRPM8, TRPV2 MEN1 4751/4885NPC1 1634/4885CYP1A2 4264/4885
US-20170283431-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 MEN1 2551/4885NPC1 3187/4885CYP1A2 2465/4885

“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.