SCHEMBL24210195

SCHEMBL24210195

O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1ccccc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.73
▸ NPSR1 Q6W5P4 2/20 0.73
▸ KDM4E B2RXH2 1/20 0.73
▸ SMN1; SMN2 Q16637 5/20 0.66
▸ MEN1 O00255 4/20 0.66
▸ TSHR P16473 2/20 0.63
▸ ALDH1A1 P00352 4/20 0.61
▸ POLB P06746 1/20 0.61
▸ HPGD P15428 1/20 0.60
▸ USP2 O75604 1/20 0.60
▸ LMNA P02545 3/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL3502240 0.91 KMT2A (0.89) KMT2ANPSR1KDM4ESMN1; SMN2MEN1
SCHEMBL24209876 0.88 KMT2A (0.83) KMT2ANPSR1KDM4ESMN1; SMN2MEN1
SCHEMBL24209696 0.88 NPSR1 (0.67) KMT2ANPSR1KDM4ESMN1; SMN2MEN1
SCHEMBL24210088 0.87 KMT2A (0.83) KMT2ANPSR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL24210095 0.86 TSHR (0.85) KMT2ANPSR1KDM4ESMN1; SMN2MEN1
SCHEMBL24209779 0.84 KMT2A (0.76) KMT2ANPSR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL24209692 0.84 LMNA (0.83) KMT2ANPSR1KDM4ESMN1; SMN2MEN1
SCHEMBL24209776 0.81 NPSR1 (0.77) KMT2ANPSR1KDM4ESMN1; SMN2MEN1
SCHEMBL24210094 0.81 NPSR1 (1.00) KMT2ANPSR1KDM4ESMN1; SMN2MEN1
SCHEMBL24019617 0.81 NPSR1 (0.71) KMT2ANPSR1MEN1ALDH1A1POLB

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 KMT2A 2532/4885NPSR1 4502/4885KDM4E 1511/4885

“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.

Send feedback