SCHEMBL5453557

SCHEMBL5453557

O=C(NC(=S)Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
NPC1 O15118 2/20 0.68
ALDH1A1 P00352 2/20 0.68
RAB9A P51151 2/20 0.68
HPGD P15428 1/20 0.68
LMNA P02545 1/20 0.61
KMT2A Q03164 1/20 0.61
MAPT P10636 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
SCHEMBL3046207 0.89 SMN1; SMN2 (0.84) SMN1; SMN2NPC1ALDH1A1RAB9AHPGD
SCHEMBL5445610 0.87 MAPT (0.71) SMN1; SMN2NPC1ALDH1A1RAB9AHPGD
SCHEMBL3644788 0.86 NPC1 (0.73) SMN1; SMN2NPC1ALDH1A1RAB9ALMNA
SCHEMBL14095977 0.84 ALDH1A1 (0.58) SMN1; SMN2NPC1ALDH1A1RAB9AHPGD
SCHEMBL5837764 0.84 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1LMNAKMT2AMAPT
SCHEMBL14095968 0.84 ALDH1A1 (0.55) SMN1; SMN2NPC1ALDH1A1RAB9AHPGD
SCHEMBL4357801 0.83 ALDH1A1 (0.62) SMN1; SMN2NPC1ALDH1A1RAB9AHPGD
SCHEMBL14096632 0.83 NPC1 (0.74) SMN1; SMN2NPC1ALDH1A1RAB9AHPGD
SCHEMBL5453685 0.83 ALDH1A1 (0.70) SMN1; SMN2NPC1ALDH1A1RAB9AHPGD
SCHEMBL3049551 0.82 NPC1 (0.78) SMN1; SMN2NPC1ALDH1A1RAB9AHPGD

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 SMN1; SMN2 4344/4885NPC1 886/4885ALDH1A1 2930/4885

“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.