SCHEMBL3757080

SCHEMBL3757080

COC(=O)c1ccc(C=C2SC(=S)N(C)C2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 4/20 0.63
▸ MAOB P27338 2/20 0.63
▸ MAOA P21397 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.61
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ PIM1 P11309 1/20 0.58
▸ CACNA1B Q00975 1/20 0.58
▸ APBA1 Q02410 1/20 0.58
▸ POLB P06746 1/20 0.57
▸ HSD17B3 P37058 1/20 0.55
▸ MAPT P10636 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ NAT1 P18440 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
SCHEMBL3757078 1.00 CISD1 (0.63) CISD1MAOBMAOATDP1MEN1
SCHEMBL24217825 0.85 CISD1 (0.71) CISD1MAOBMAOAMEN1KMT2A
SCHEMBL24217823 0.84 CISD1 (0.70) CISD1MAOBMAOAMEN1KMT2A
SCHEMBL12008799 0.82 MAPT (0.76) CISD1MAOATDP1MEN1KMT2A
SCHEMBL12008558 0.81 CACNA1B (0.73) CISD1MAOATDP1MEN1KMT2A
SCHEMBL17397858 0.80 CISD1 (0.73) CISD1MAOBMAOAMEN1KMT2A
SCHEMBL17397856 0.80 CISD1 (0.73) CISD1MAOBMAOAMEN1KMT2A
SCHEMBL17397857 0.80 CISD1 (0.73) CISD1MAOBMAOAMEN1KMT2A
SCHEMBL1125306 0.79 CISD1 (0.75) CISD1MAOBMAOAMEN1KMT2A
SCHEMBL1125307 0.79 CISD1 (0.75) CISD1MAOBMAOAMEN1KMT2A

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-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 — — US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 — — 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-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 CISD1 624/4885MAOB 1269/4885MAOA 1256/4885
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 CISD1 624/4885MAOB 1269/4885MAOA 1256/4885

“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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