SCHEMBL12522771

SCHEMBL12522771

CCCCNc1cc(C(=O)SCOC=O)cc(S)c1Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ SLC12A2 P55011 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ AQP1 P29972 1/20 0.43
▸ PTGS2 P35354 14/20 0.42
▸ HDAC3 O15379 1/20 0.38
▸ POLB P06746 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ ZDHHC2 Q9UIJ5 1/20 0.33

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
SCHEMBL12522801 0.90 ALDH1A1 (0.47) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL14514544 0.85 KDM4E (0.72) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL10169401 0.84 KDM4E (0.51) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL2881149 0.83 ALDH1A1 (0.48) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL2879559 0.83 KDM4E (0.69) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL2875996 0.82 ALDH1A1 (0.59) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL2880748 0.81 HPGD (0.58) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL12522799 0.81 KDM4E (0.58) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL19300036 0.79 KDM4E (0.59) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL2880950 0.79 ALDH1A1 (0.49) KDM4EUSP2ALDH1A1CA2LMNA

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-20120234721-A1 DIURETIC AND DIURETIC-LIKE COMPOUND ANALOGS NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-09-20 — — US disclosed
US-20090215754-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NEUROTHERAPEUTICS PHARMA, INC. 2009-08-27 — — 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-20120234721-A1 DIURETIC AND DIURETIC-LIKE COMPOUND ANALOGS AQP4, AVPR2, AQP1 KDM4E 3557/4885USP2 3459/4885ALDH1A1 687/4885
US-20090215754-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS SLC6A2, SLC1A2, SLC18A2 KDM4E 1504/4885USP2 3752/4885ALDH1A1 701/4885

“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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