SCHEMBL683932

SCHEMBL683932

CSc1cccc(C(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
HDAC4 P56524 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX12 P18054 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MDM4 O15151 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TYR P14679 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CA5A P35218 1/20 0.44
MDM2 Q00987 1/20 0.44
CA9 Q16790 1/20 0.44
HDAC2 Q92769 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
SCHEMBL19122418 0.84 AKR1C3 (0.41) CYP3A4TP53MAPTSMN1; SMN2CYP2D6
SCHEMBL32683909 0.83 CYP3A4 (0.41) CYP3A4TP53MAPTSMN1; SMN2CYP2D6
SCHEMBL32683960 0.83 CYP3A4 (0.41) CYP3A4TP53MAPTSMN1; SMN2CYP2D6
SCHEMBL32683607 0.83 MEN1 (0.44) CYP3A4TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL5180780 0.83 AKR1C3 (0.40) CYP3A4TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL24010071 0.83 MEN1 (0.44) CYP3A4TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL16954468 0.83 CYP3A4 (0.38) CYP3A4TP53MAPTSMN1; SMN2CYP2D6
SCHEMBL5181346 0.83 SLC6A2 (0.41) CYP3A4TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL20718661 0.83 SLC6A4 (0.42) CYP3A4TP53MAPTSMN1; SMN2CYP2D6
SCHEMBL30400846 0.83 MEN1 (0.44) CYP3A4TP53MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
WO-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO disclosed
US-11976061-B2 Preparation of benzimidazolone derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors Merck Sharp & Dohme, LLC (US) 2024-05-07 US disclosed
US-11976061-B2 Preparation of benzimidazolone derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors Merck Sharp & Dohme, LLC (US) 2024-05-07 US disclosed
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PROMEGA CORPORATION 2024-02-29 US disclosed
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PROMEGA CORPORATION 2024-02-29 US disclosed
WO-2023230002-A1 NLRP3 INFLAMMASOME INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2023-11-30 WO disclosed
EP-3774775-B1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-10-11 EP disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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 (10 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP3A4 537/4885HDAC4 163/4885HDAC8 128/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP3A4 537/4885HDAC4 163/4885HDAC8 128/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP3A4 537/4885HDAC4 163/4885HDAC8 128/4885
US-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 CYP3A4 1526/4885HDAC4 865/4885HDAC8 900/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 CYP3A4 176/4885HDAC4 1486/4885HDAC8 1169/4885
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 CYP3A4 595/4885HDAC4 2440/4885HDAC8 1758/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 CYP3A4 544/4885HDAC4 895/4885HDAC8 1148/4885
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PGLS, AADAC, GLB1 CYP3A4 2233/4885HDAC4 1995/4885HDAC8 1242/4885
US-11976061-B2 Preparation of benzimidazolone derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 CYP3A4 505/4885HDAC4 725/4885HDAC8 1588/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR CYP3A4 1300/4885HDAC4 1752/4885HDAC8 1388/4885

“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.