SCHEMBL5453685

SCHEMBL5453685

O=C(NC(=S)Nc1cccc(Cl)c1)c1cccc(Br)c1

nearest known ligand 0.90

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
HPGD P15428 1/20 0.70
KMT2A Q03164 3/20 0.68
MAPT P10636 2/20 0.68
MEN1 O00255 2/20 0.68
POLB P06746 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
LMNA P02545 3/20 0.62
ALOX12 P18054 1/20 0.62

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
SCHEMBL3054545 0.95 ALDH1A1 (0.74) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3046207 0.90 SMN1; SMN2 (0.84) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL24118808 0.86 NPC1 (0.71) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3048252 0.85 EPHX1 (0.70) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3049551 0.83 NPC1 (0.78) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL18342290 0.83 ALDH1A1 (0.72) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3058013 0.83 NPC1 (0.65) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5453557 0.83 SMN1; SMN2 (0.68) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3049631 0.82 SMN1; SMN2 (0.79) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3051204 0.82 NPC1 (0.74) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD

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 2930/4885NPC1 886/4885RAB9A 3144/4885

“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.