SCHEMBL3580429

SCHEMBL3580429

CC(=O)c1ccc(C)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.39
DHODH Q02127 2/20 0.36
SORT1 Q99523 3/20 0.35
KMT2A Q03164 3/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
P2RX7 Q99572 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL701941 0.82 KDM4E (0.60) NOS3NOS1NOS2KDM4EL3MBTL1
SCHEMBL12707195 0.80 NOS3 (0.41) NOS3NOS1NOS2SMN1; SMN2KDM4E
SCHEMBL5364490 0.80 ALDH1A1 (0.38) SMN1; SMN2KDM4EL3MBTL1ALDH1A1DHODH
SCHEMBL3999989 0.80 NOS3 (0.46) NOS3NOS1NOS2KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL1022194 0.78 NOS3 (0.40) NOS3NOS1NOS2SMN1; SMN2KDM4E
SCHEMBL23112473 0.78 KDM4E (0.39) SMN1; SMN2KDM4EL3MBTL1ALDH1A1DHODH
SCHEMBL1858070 0.78 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EALDH1A1DHODHKMT2A
SCHEMBL21599035 0.78 ALDH1A1 (0.36) SMN1; SMN2KDM4EL3MBTL1ALDH1A1DHODH
SCHEMBL21241047 0.78 KDM4E (0.39) SMN1; SMN2KDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL20198157 0.78 RAB9A (0.42) SMN1; SMN2KDM4EL3MBTL1ALDH1A1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658656-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEONE MEDICINES I GMBH (CH) 2025-11-13 US disclosed
WO-2024160276-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEIGENE, LTD. (KY) 2024-08-08 WO disclosed
WO-2023122140-A1 PARP1 INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-06-29 WO disclosed
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP disclosed
US-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 US disclosed
US-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 US disclosed
US-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 US disclosed
EP-2106214-A2 BISOXIMES AS FUNGICIDES AND ARTHROPODICIDES Bayer CropScience Aktiengesellschaft (DE) 2009-10-07 EP disclosed
WO-2008074418-A2 BISOXIMES AS FUNGICIDES AND ARTHROPODICIDES BAYER CROPSCIENCE AKTENGESELLSCHAFT (DE) 2008-06-26 WO disclosed
WO-2008074418-A2 BISOXIMES AS FUNGICIDES AND ARTHROPODICIDES BAYER CROPSCIENCE AKTENGESELLSCHAFT (DE) 2008-06-26 WO disclosed
EP-0974602-B1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR CORP (JP) 2004-01-02 EP disclosed
US-6291596-B1 CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT JSR CORPORATION (JP) 2001-09-18 US disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK NOS3 2003/4885NOS1 3450/4885NOS2 2295/4885
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES DGKG, DGKA, DGKK NOS3 3707/4885NOS1 3007/4885NOS2 2948/4885
US-20100022559-A1 BISOXIMES AS FUNGICIDES DDT, FHIT, CYP4X1 NOS3 288/4885NOS1 253/4885NOS2 213/4885

“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.