SCHEMBL5456943

SCHEMBL5456943

O=C(NC(=S)Nc1cccc(Cl)c1)c1ccccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.74
KMT2A Q03164 2/20 0.74
HPGD P15428 1/20 0.74
RAB9A P51151 5/20 0.71
NPC1 O15118 4/20 0.71
HTT P42858 2/20 0.71
CA1 P00915 3/20 0.70
CA2 P00918 3/20 0.70
CA9 Q16790 3/20 0.70
GAA P10253 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MEN1 O00255 1/20 0.63
MAPT P10636 1/20 0.63
LMNA P02545 1/20 0.61
POLB P06746 1/20 0.59

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
SCHEMBL27232945 0.89 RAB9A (0.76) ALDH1A1KMT2AHPGDRAB9ANPC1
SCHEMBL5453980 0.86 ALDH1A1 (0.63) ALDH1A1KMT2AHPGDRAB9ANPC1
SCHEMBL15778718 0.85 FADS1 (0.74) ALDH1A1KMT2ARAB9ANPC1HTT
SCHEMBL5442355 0.84 ALDH1A1 (0.72) ALDH1A1KMT2AHPGDRAB9ANPC1
SCHEMBL14096418 0.84 ALDH1A1 (0.81) ALDH1A1KMT2AHPGDRAB9ANPC1
SCHEMBL14096334 0.83 ALDH1A1 (0.80) ALDH1A1KMT2AHPGDRAB9ANPC1
SCHEMBL14096355 0.82 ALDH1A1 (0.80) ALDH1A1KMT2AHPGDRAB9ANPC1
SCHEMBL14096478 0.82 MAPT (0.70) ALDH1A1KMT2AHPGDRAB9ANPC1
SCHEMBL3046207 0.81 SMN1; SMN2 (0.84) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL22274845 0.80 IDO1 (0.73) ALDH1A1KMT2AHPGDGAASMN1; SMN2

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 ALDH1A1 2930/4885KMT2A 4579/4885HPGD 919/4885

“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.