SCHEMBL4370539

SCHEMBL4370539

CN1CCC(COc2ccc(SNC(=O)NC(=O)c3cc4ccccc4o3)cc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4370541 0.82 MAPT (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4543532 0.76 RAB9A (0.45) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4363876 0.72 ACKR3 (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL14096091 0.72 MAPT (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2866257 0.71 HDAC3 (0.45) RAB9ANPC1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL4518242 0.70 NPC1 (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4364790 0.70 HDAC3 (0.45) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4538068 0.68 SMN1; SMN2 (0.49) RAB9ANPC1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL2862923 0.68 LMNA (0.57) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4361546 0.68 HPGD (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT

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 RAB9A 2176/4885NPC1 107/4885SLC6A2 717/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 RAB9A 2273/4885NPC1 151/4885SLC6A2 568/4885

“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.