SCHEMBL4366195

SCHEMBL4366195

O=C(NSc1cccc(Oc2ccccc2)c1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 1/20 0.44
FFAR1 O14842 2/20 0.43
F12 P00748 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOB P27338 5/20 0.40
KDM4E B2RXH2 1/20 0.40
MAOA P21397 1/20 0.39
EIF4A1 P60842 1/20 0.39
MMP2 P08253 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
SCHEMBL4366278 0.90 CTSV (0.45) CYP24A1F12MEN1KMT2ANPC1
SCHEMBL4360383 0.85 SMN1; SMN2 (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4369761 0.85 BCAT1 (0.46) F12MEN1KMT2ANPC1RAB9A
SCHEMBL4366834 0.83 DRD3 (0.38) NPC1RAB9AMAPTLMNAHPGD
SCHEMBL2862481 0.83 PTPN22 (0.39) FFAR1KMT2ANPC1RAB9AMAPT
SCHEMBL4374029 0.82 RAB9A (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4366198 0.79 MAPT (0.53) FFAR1F12MEN1KMT2ANPC1
SCHEMBL4538068 0.77 SMN1; SMN2 (0.49) NPC1RAB9AMAPTLMNAHPGD
SCHEMBL4363705 0.77 NPC1 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4365533 0.76 NPC1 (0.47) MEN1KMT2ANPC1RAB9AMAPT

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 4 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

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 CYP24A1 3828/4885FFAR1 409/4885F12 61/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 CYP24A1 3961/4885FFAR1 445/4885F12 15/4885

“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.