SCHEMBL5453980

SCHEMBL5453980

O=C(NC(=S)Nc1cccc(Cl)c1)c1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
MAPT P10636 4/20 0.63
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
LMNA P02545 1/20 0.63
POLB P06746 1/20 0.63
DUSP1 P28562 1/20 0.63
NPC1 O15118 4/20 0.61
HPGD P15428 3/20 0.61
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
HTT P42858 1/20 0.55

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
SCHEMBL6816880 0.88 MEN1 (0.64) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL10817839 0.86 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1LMNADUSP1
SCHEMBL5456943 0.86 ALDH1A1 (0.74) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL15778871 0.86 FADS1 (0.70) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL9248095 0.84 ALDH1A1 (0.75) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL6819054 0.82 MEN1 (0.56) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL27232945 0.81 RAB9A (0.76) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL5452889 0.79 KMT2A (0.73) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3046207 0.79 SMN1; SMN2 (0.84) ALDH1A1MAPTNPC1HPGDRAB9A
SCHEMBL22274845 0.78 IDO1 (0.73) ALDH1A1MAPTKMT2AMEN1LMNA

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 ALDH1A1 2930/4885MAPT 4038/4885KMT2A 4579/4885

“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.