SCHEMBL23375208

SCHEMBL23375208

CCc1nc(-c2ccc3c(c2)CCC3NC(=O)c2ccccc2)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ LIPG Q9Y5X9 1/20 0.47
▸ SMPD1 P17405 1/20 0.45
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MLLT3 P42568 1/20 0.41
▸ MLLT1 Q03111 1/20 0.41
▸ BDKRB1 P46663 1/20 0.41
▸ WDR5 P61964 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HPGDS O60760 1/20 0.40

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
SCHEMBL21270445 0.94 SMPD1 (0.46) HTTNPSR1TSHRALDH1A1LIPG
SCHEMBL21270449 0.94 SMPD1 (0.46) HTTNPSR1TSHRALDH1A1LIPG
SCHEMBL21270181 0.91 HTT (0.43) HTTNPSR1TSHRALDH1A1LIPG
SCHEMBL21270179 0.91 HTT (0.43) HTTNPSR1TSHRALDH1A1LIPG
SCHEMBL21178499 0.90 ALDH1A1 (0.48) HTTNPSR1TSHRALDH1A1LIPG
SCHEMBL21178498 0.90 ALDH1A1 (0.48) HTTNPSR1TSHRALDH1A1LIPG
SCHEMBL21270577 0.90 ALDH1A1 (0.50) HTTNPSR1TSHRALDH1A1LIPG
SCHEMBL21270580 0.90 ALDH1A1 (0.50) HTTNPSR1TSHRALDH1A1LIPG
SCHEMBL21284810 0.90 SMPD1 (0.46) HTTNPSR1TSHRALDH1A1LIPG
SCHEMBL21270471 0.90 SMPD1 (0.46) HTTNPSR1TSHRALDH1A1LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230119665-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2023-04-20 — — US disclosed
US-20210147399-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2021-05-20 — — 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 (2 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-20230119665-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 HTT 3581/4885NPSR1 3483/4885TSHR 2655/4885
US-20210147399-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 HTT 3581/4885NPSR1 3483/4885TSHR 2655/4885

“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.

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