SCHEMBL8891430

SCHEMBL8891430

CC(C)(C)c1csc(NC(=S)NCCc2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.63
▸ MEN1 O00255 5/20 0.63
▸ RAB9A P51151 9/20 0.52
▸ NPC1 O15118 6/20 0.52
▸ ALDH1A1 P00352 10/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ MAPK1 P28482 4/20 0.52
▸ POLB P06746 1/20 0.52
▸ LMNA P02545 6/20 0.51
▸ ALOX12 P18054 5/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MAOA P21397 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ PKM P14618 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ CCR4 P51679 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL6962348 0.88 RAB9A (0.51) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL10068136 0.88 KMT2A (0.59) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL77064 0.85 KMT2A (0.70) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL8885589 0.84 ALDH1A1 (0.61) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL10085259 0.81 RAB9A (0.52) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL29355888 0.81 RAB9A (0.51) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL29355425 0.81 RAB9A (0.51) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL6950085 0.79 RAB9A (0.52) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL10078878 0.78 KMT2A (1.00) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL8683376 0.77 ROCK1 (0.75) KMT2AMEN1RAB9ANPC1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119645-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 — — US disclosed
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-11-26 — — US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 — — 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-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 KMT2A 663/4885MEN1 938/4885RAB9A 3411/4885

“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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