SCHEMBL4374029

SCHEMBL4374029

CC(=O)Nc1ccc2oc(C(=O)NC(=O)NSc3cccc(Oc4ccccc4)c3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.47
NPC1 O15118 9/20 0.47
SMN1; SMN2 Q16637 8/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
TP53 P04637 5/20 0.47
MAPK1 P28482 3/20 0.47
PKM P14618 2/20 0.47
MAPT P10636 6/20 0.46
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MMP2 P08253 1/20 0.40
TSHR P16473 2/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
PLAU P00749 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4360383 0.85 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4369761 0.85 BCAT1 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2862481 0.84 PTPN22 (0.39) RAB9ANPC1SMN1; SMN2KMT2ATP53
SCHEMBL4366834 0.83 DRD3 (0.38) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL4366195 0.82 CYP24A1 (0.44) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4374032 0.81 MAPT (0.66) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4538068 0.77 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL4363705 0.77 NPC1 (0.41) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4365533 0.76 NPC1 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4540500 0.76 BCAT1 (0.49) RAB9ANPC1

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 8 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
EP-1562895-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2005-08-17 EP claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2004046095-A1 SUBSTITUTED ARYL THIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2004-06-03 WO 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 107/4885SMN1; SMN2 2545/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 RAB9A 2273/4885NPC1 151/4885SMN1; SMN2 2335/4885

“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.