SCHEMBL24209776

SCHEMBL24209776

O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1c(Cl)cccc1Cl

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.77
▸ HPGD P15428 2/20 0.64
▸ KMT2A Q03164 6/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ LMNA P02545 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TSHR P16473 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ ALOX5 P09917 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54

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
SCHEMBL24209696 0.88 NPSR1 (0.67) NPSR1HPGDKMT2AMEN1ALDH1A1
SCHEMBL24210094 0.87 NPSR1 (1.00) NPSR1HPGDKMT2AMEN1ALDH1A1
SCHEMBL24209778 0.85 NPSR1 (0.67) NPSR1HPGDKMT2AMEN1ALDH1A1
SCHEMBL24210088 0.84 KMT2A (0.83) NPSR1HPGDKMT2AMEN1ALDH1A1
SCHEMBL24209779 0.84 KMT2A (0.76) NPSR1HPGDKMT2AMEN1ALDH1A1
SCHEMBL24209697 0.84 ALDH1A1 (0.82) NPSR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL24209777 0.82 NPSR1 (0.83) NPSR1HPGDKMT2AMEN1ALDH1A1
SCHEMBL24209692 0.82 LMNA (0.83) NPSR1HPGDKMT2AMEN1ALDH1A1
SCHEMBL24210195 0.81 KMT2A (0.73) NPSR1HPGDKMT2AMEN1ALDH1A1
SCHEMBL24019617 0.81 NPSR1 (0.71) NPSR1HPGDKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220016080-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS FUND PROFESOR NOVOA SANTOS (ES) 2022-01-20 — — 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 (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-20220016080-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS CHUK, HIPK3, HIPK1 NPSR1 4502/4885HPGD 1570/4885KMT2A 2532/4885

“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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