SCHEMBL23712367

SCHEMBL23712367

CS1(C)CCC(NC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.50
RHEB Q15382 4/20 0.47
SMYD3 Q9H7B4 3/20 0.44
NUDT1 P36639 1/20 0.40
MLLT1 Q03111 1/20 0.39
S1PR2 O95136 1/20 0.38
EIF4A3 P38919 1/20 0.37
PYGL P06737 1/20 0.37
PYGM P11217 1/20 0.37
PTGS2 P35354 1/20 0.36
RAB9A P51151 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
SCHEMBL24996920 0.87 GRIN1 (0.49) GRIN1RHEBSMYD3NUDT1MLLT1
SCHEMBL24996943 0.86 GRIN1 (0.48) GRIN1RHEBSMYD3NUDT1MLLT1
SCHEMBL15506791 0.85 GRIN1 (0.52) GRIN1RHEBSMYD3NUDT1MLLT1
SCHEMBL15520457 0.85 GRIN1 (0.52) GRIN1RHEBSMYD3NUDT1MLLT1
SCHEMBL15506783 0.85 GRIN1 (0.52) GRIN1RHEBSMYD3NUDT1MLLT1
SCHEMBL17206304 0.85 GRIN1 (0.55) GRIN1RHEBSMYD3NUDT1MLLT1
SCHEMBL3605718 0.84 GRIN1 (0.54) GRIN1RHEBSMYD3NUDT1MLLT1
SCHEMBL23111863 0.83 GRIN1 (0.50) GRIN1RHEBSMYD3NUDT1MLLT1
SCHEMBL18520576 0.83 GRIN1 (0.50) GRIN1RHEBSMYD3NUDT1MLLT1
SCHEMBL15506666 0.83 GRIN1 (0.50) GRIN1RHEBSMYD3NUDT1MLLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718633-B2 Indole compounds, process for the preparation and use thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2023-08-08 US disclosed
US-20230040909-A1 INDOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2023-02-09 US disclosed
US-20210238204-A1 INDOLE COMPOUNDS, PROCESS FOR THE PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-08-05 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 (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-11718633-B2 Indole compounds, process for the preparation and use thereof IDO1, IDO2, INMT GRIN1 4291/4885RHEB 1162/4885SMYD3 2030/4885
US-20210238204-A1 INDOLE COMPOUNDS, PROCESS FOR THE PREPARATION AND USE THEREOF IDO1, IDO2, INMT GRIN1 4291/4885RHEB 1162/4885SMYD3 2030/4885
US-20230040909-A1 INDOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS IDO1, IDO2, INMT GRIN1 3574/4885RHEB 2161/4885SMYD3 2558/4885

“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.