SCHEMBL5455550

SCHEMBL5455550

CCOc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
MEN1 O00255 4/20 0.65
MAPT P10636 9/20 0.61
NPC1 O15118 8/20 0.61
RAB9A P51151 8/20 0.61
SMN1; SMN2 Q16637 6/20 0.60
MAPK1 P28482 2/20 0.60
ALDH1A1 P00352 6/20 0.58
HPGD P15428 2/20 0.57
LMNA P02545 3/20 0.57
KDM4E B2RXH2 3/20 0.56
TP53 P04637 3/20 0.56
HTT P42858 1/20 0.56
ALOX12 P18054 1/20 0.56
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL13454373 0.90 KMT2A (0.69) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL5453761 0.83 KMT2A (0.78) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL12012121 0.82 ALDH1A1 (0.75) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL5452889 0.82 KMT2A (0.73) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL9248095 0.81 ALDH1A1 (0.75) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL14096622 0.78 ALDH1A1 (0.69) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL13454381 0.78 KMT2A (0.67) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL13454451 0.77 ALDH1A1 (0.70) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL16358821 0.77 MEN1 (0.60) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL12443334 0.75 MAPT (0.86) KMT2AMEN1MAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 KMT2A 4579/4885MEN1 4577/4885MAPT 4038/4885

“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.