SCHEMBL4365571

SCHEMBL4365571

CCCCC#Cc1ccc(SNC(=O)NC(=O)c2cc3ccccc3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.47
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MAPT P10636 6/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 3/20 0.40
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL2862923 0.82 LMNA (0.57) HDAC3LMNAGAATAS1R3TAS1R1
SCHEMBL4360208 0.80 MAPT (0.67) HDAC3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2866257 0.75 HDAC3 (0.45) HDAC3LMNAGAATAS1R3TAS1R1
SCHEMBL4364674 0.75 TSHR (0.39) HDAC3LMNAGAATAS1R3TAS1R1
SCHEMBL4364790 0.75 HDAC3 (0.45) HDAC3LMNAGAATAS1R3TAS1R1
SCHEMBL4538068 0.74 SMN1; SMN2 (0.49) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4518242 0.73 NPC1 (0.43) HDAC3LMNAGAATAS1R3TAS1R1
SCHEMBL3634482 0.72 SMN1; SMN2 (0.51) LMNATAS1R3TAS1R1MAPTNPC1
SCHEMBL14136963 0.71 MAPT (0.62) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14096075 0.71 HDAC3 (0.62) HDAC3TAS1R3TAS1R1MAPTNPC1

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-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

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 HDAC3 378/4885LMNA 3749/4885GAA 370/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 HDAC3 627/4885LMNA 3239/4885GAA 407/4885

“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.