SCHEMBL4366368

SCHEMBL4366368

O=C(NSc1cccc(C#Cc2cccnc2)c1)NC(=O)c1cc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.45
PDGFRB P09619 1/20 0.43
KDR P35968 1/20 0.43
NPC1 O15118 5/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
PTK2B Q14289 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 4/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL4368090 0.84 ALDH1A1 (0.56) ALDH1A1L3MBTL1NPC1LMNATSHR
SCHEMBL4370773 0.84 ALDH1A1 (0.56) ALDH1A1L3MBTL1NPC1LMNATSHR
SCHEMBL4366369 0.78 ALDH1A1 (0.76) ALDH1A1L3MBTL1PDGFRBKDRNPC1
SCHEMBL3634482 0.76 SMN1; SMN2 (0.51) ALDH1A1NPC1LMNATSHRMEN1
SCHEMBL4375566 0.76 SMN1; SMN2 (0.49) ALDH1A1L3MBTL1NPC1LMNATSHR
SCHEMBL4360383 0.75 SMN1; SMN2 (0.47) ALDH1A1NPC1LMNATSHRMEN1
SCHEMBL4365533 0.74 NPC1 (0.47) ALDH1A1L3MBTL1NPC1LMNATSHR
SCHEMBL4366956 0.73 SMN1; SMN2 (0.48) ALDH1A1NPC1LMNATSHRMEN1
SCHEMBL4370668 0.73 SMN1; SMN2 (0.50) ALDH1A1NPC1LMNATSHRMEN1
SCHEMBL4361546 0.72 HPGD (0.49) ALDH1A1L3MBTL1NPC1TSHRMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US claimed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 US claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US claimed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 US disclosed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 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 (2 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-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, TPMT ALDH1A1 310/4885L3MBTL1 253/4885PDGFRB 2585/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 ALDH1A1 221/4885L3MBTL1 168/4885PDGFRB 2133/4885

“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.