SCHEMBL947154

SCHEMBL947154

O=C(O)c1n[nH]cc1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.45
RNASEH1 O60930 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 3/20 0.41
PTPN2 P17706 1/20 0.41
PTPN6 P29350 1/20 0.41
TSHR P16473 1/20 0.40
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL29936373 0.87 PLA2G10 (0.46) HCAR2SMN1; SMN2PTPN1PTPN2PTPN6
SCHEMBL27724759 0.87 LMNA (0.46) HCAR2RNASEH1SMN1; SMN2TSHRBCL2
SCHEMBL7421844 0.83 TDP1 (0.50) SMN1; SMN2TSHRKDM4ELMNAKMT2A
SCHEMBL948640 0.82 SMN1; SMN2 (0.59) SMN1; SMN2TSHRKDM4ELMNAMEN1
SCHEMBL30094007 0.78 CNR2 (0.46) SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4857853 0.77 BCL2 (0.48) HCAR2SMN1; SMN2BCL2BCL2L1MEN1
SCHEMBL591059 0.76 HCAR2 (0.44) HCAR2KDM4E
SCHEMBL3044296 0.76 HCAR2 (0.37) HCAR2SMN1; SMN2KDM4ELMNA
SCHEMBL9956509 0.74 HCAR2 (0.33) HCAR2KDM4ELMNA
SCHEMBL1018503 0.74 KDM4E (0.46) HCAR2TSHRKDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008027442-A2 ABUSE DETERRENT ORAL PHARMACEUTICAL FORMULATIONS OF OPIOID AGONISTS AND METHOD OF USE THERAQUEST BIOSCIENCES, LLC (US) 2008-03-06 WO claimed
WO-2008024408-A2 PHARMACEUTICAL FORMULATIONS OF CANNABINOIDS FOR APPLICATION TO THE SKIN AND METHOD OF USE THERAQUEST BIOSCIENCES, INC. (US) 2008-02-28 WO claimed
WO-2008021394-A2 PHARMACEUTICAL FORMULATIONS OF CANNABINOIDS AND METHOD OF USE THERAQUEST BIOSCIENCES, LLC (US) 2008-02-21 WO claimed
US-20240174649-A1 CULLIN-RING E3 UBIQUITIN LIGASE 4 INHIBITOR COMPOUNDS AND METHODS OF THEIR USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2024-05-30 US disclosed
WO-2022165432-A1 CULLIN-RING E3 UBIQUITIN LIGASE 4 INHIBITOR COMPOUNDS AND METHODS OF THEIR USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-08-04 WO disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 EP disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed
EP-3317269-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2018-05-09 EP disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 WO disclosed
EP-2451450-B1 Inhibitors of proline racemase enzymes for the treatment of Trypanosoma spp infections PASTEUR INSTITUT (FR) 2014-07-02 EP disclosed
EP-2451450-A1 NEW INHIBITORS OF PROLINE RACEMASE ENZYMES Institut Pasteur (FR) 2012-05-16 EP disclosed
WO-2011004323-A1 NEW INHIBITORS OF PROLINE RACEMASE ENZYMES INSTITUT PASTEUR (FR) 2011-01-13 WO disclosed
EP-2272510-A1 Inhibitors of the proline racemase of trypanosoma cruzi Institut Pasteur (FR) 2011-01-12 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 (1 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-20240174649-A1 CULLIN-RING E3 UBIQUITIN LIGASE 4 INHIBITOR COMPOUNDS AND METHODS OF THEIR USE CUL4A, CUL1, CUL3 HCAR2 4254/4885RNASEH1 1780/4885SMN1; SMN2 3760/4885

“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.