SCHEMBL13485932

SCHEMBL13485932

COc1ccc(-c2ccc(S(=O)(=O)Nc3cccc4cccnc34)cc2)cc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 9/20 0.93
▸ GLO1 Q04760 7/20 0.93
▸ TDP1 Q9NUW8 7/20 0.72
▸ KMT2A Q03164 6/20 0.72
▸ MEN1 O00255 5/20 0.72
▸ AGTR1 P30556 3/20 0.69
▸ CKS1B P61024 3/20 0.69
▸ SKP2 Q13309 3/20 0.69
▸ LMNA P02545 2/20 0.69
▸ MAPT P10636 2/20 0.69
▸ NPSR1 Q6W5P4 2/20 0.69
▸ MITF O75030 1/20 0.69
▸ S1PR4 O95977 1/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ S1PR1 P21453 1/20 0.69
▸ OPRK1 P41145 1/20 0.69
▸ HTT P42858 1/20 0.69
▸ NFKBIA P25963 2/20 0.66
▸ G6PD P11413 1/20 0.66
▸ METAP2 P50579 1/20 0.66

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
SCHEMBL7193613 0.96 SLC40A1 (1.00) SLC40A1GLO1TDP1KMT2AMEN1
SCHEMBL13485924 0.86 GLO1 (0.84) SLC40A1GLO1TDP1KMT2AMEN1
SCHEMBL11973668 0.84 SLC40A1 (1.00) SLC40A1GLO1TDP1KMT2AMEN1
SCHEMBL13633886 0.84 MEN1 (1.00) SLC40A1GLO1TDP1KMT2AMEN1
SCHEMBL13485929 0.84 SLC40A1 (0.92) SLC40A1GLO1TDP1KMT2AMEN1
SCHEMBL28416680 0.82 GLO1 (0.67) SLC40A1GLO1TDP1KMT2AMEN1
SCHEMBL4471796 0.82 TDP1 (1.00) SLC40A1GLO1TDP1KMT2AMEN1
SCHEMBL13485950 0.82 SLC40A1 (0.80) SLC40A1GLO1TDP1KMT2AMEN1
SCHEMBL12971644 0.81 GLO1 (0.73) SLC40A1GLO1TDP1KMT2AMEN1
SCHEMBL15299831 0.81 TDP1 (0.97) SLC40A1GLO1TDP1KMT2AMEN1

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-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 — — US disclosed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 — — 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-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS HELZ, MMEL1, GAA SLC40A1 408/4885GLO1 2965/4885TDP1 1854/4885

“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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