SCHEMBL4200877

SCHEMBL4200877

[Rh].c1ccc(SCc2cccc(CSc3ccccc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.49
POLB P06746 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.43
RECQL P46063 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4202253 0.98 L3MBTL1 (0.50) L3MBTL1POLBCTDSP1ALDH1A1MAPT
SCHEMBL4209925 0.96 L3MBTL1 (0.49) L3MBTL1POLBCTDSP1ALDH1A1MAPT
SCHEMBL155996 0.88 L3MBTL1 (0.44) L3MBTL1POLBCTDSP1ALDH1A1MAPT
SCHEMBL153894 0.84 GRM5 (0.51) L3MBTL1POLBCTDSP1ALDH1A1MAPT
SCHEMBL29405082 0.77 NPC1 (0.59) L3MBTL1ALDH1A1MAPTLMNANPC1
SCHEMBL432670 0.77 NPC1 (0.59) L3MBTL1ALDH1A1MAPTLMNANPC1
SCHEMBL10546745 0.76 CYSLTR2 (0.50) L3MBTL1POLBCTDSP1NPC1RAB9A
SCHEMBL22315195 0.71 L3MBTL1 (0.43) L3MBTL1POLBCTDSP1ALDH1A1MAPT
SCHEMBL24394684 0.71 NPC1 (0.40) L3MBTL1POLBCTDSP1ALDH1A1MAPT
SCHEMBL4205985 0.70 KCNH2 (0.40) POLBALDH1A1MAPTLMNAKMT2A

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-20090216044-A1 METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-27 US disclosed
EP-1932824-A1 METHOD FOR SYNTHESIS OF KETO ACID OR AMINO ACID BY HYDRATION OF ACETHYLENE COMPOUND Japan Science and Technology Agency (JP) 2008-06-18 EP 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-20090216044-A1 METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND AADAT, BCAT2, BCAT1 L3MBTL1 516/4885POLB 3155/4885CTDSP1 2907/4885

“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.