SCHEMBL24209791

SCHEMBL24209791

Cc1ccc(CNC(=O)CSc2nnnn2-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.64
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ HPGD P15428 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ ALPL P05186 1/20 0.56
▸ ALPG P10696 1/20 0.56
▸ TSHR P16473 1/20 0.55
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ LMNA P02545 1/20 0.53
▸ NTRK1 P04629 1/20 0.53
▸ NTRK2 Q16620 1/20 0.53

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
SCHEMBL22010389 0.90 HPGD (0.69) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL24210198 0.90 KDM4E (0.64) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL24210197 0.89 ALDH1A1 (0.83) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL21952078 0.88 ALDH1A1 (0.61) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL24209903 0.85 NPSR1 (0.68) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL21952099 0.84 NPSR1 (0.56) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL24209664 0.83 ALPL (0.73) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL24019617 0.82 NPSR1 (0.71) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL21952070 0.82 MEN1 (0.61) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL31396394 0.82 MEN1 (0.61) ALDH1A1MAPK1NPSR1MEN1KMT2A

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 ALDH1A1 967/4885MAPK1 762/4885NPSR1 4502/4885

“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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