SCHEMBL5452889

SCHEMBL5452889

O=C(NC(=S)Nc1ccc(F)cc1)c1ccccc1F

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.73
MEN1 O00255 6/20 0.73
LMNA P02545 3/20 0.71
ALDH1A1 P00352 8/20 0.71
MAPT P10636 6/20 0.71
NPC1 O15118 4/20 0.71
HPGD P15428 2/20 0.71
SMN1; SMN2 Q16637 5/20 0.67
MAPK1 P28482 1/20 0.67
RAB9A P51151 3/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
POLB P06746 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
KDM4E B2RXH2 2/20 0.59
ALOX12 P18054 1/20 0.57
GAA P10253 1/20 0.56
GLA P06280 1/20 0.56

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
SCHEMBL9248095 0.91 ALDH1A1 (0.75) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL30739608 0.84 LMNA (1.00) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL6295702 0.84 LMNA (1.00) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL13454381 0.84 KMT2A (0.67) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL5455550 0.82 KMT2A (0.65) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL6814456 0.81 MEN1 (0.77) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL14127097 0.81 EPHX1 (0.78) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL17066663 0.81 ALDH1A1 (0.69) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL5453980 0.79 ALDH1A1 (0.63) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL6816342 0.78 LMNA (0.64) KMT2AMEN1LMNAALDH1A1MAPT

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-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 4577/4885LMNA 2039/4885

“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.