SCHEMBL4366278

SCHEMBL4366278

O=C(NSc1cccc(OCc2ccccc2)c1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP24A1 Q07973 1/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
F12 P00748 1/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
CYP19A1 P11511 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 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
SCHEMBL4366195 0.90 CYP24A1 (0.44) MEN1KMT2ACYP24A1MAPTLMNA
SCHEMBL4361546 0.86 HPGD (0.49) MEN1KMT2AMAPTTDP1MAOB
SCHEMBL4358729 0.86 ANO1 (0.44) MAOBHPGD
SCHEMBL4366943 0.86 SPHK2 (0.40) MAPTTDP1MAOBMAOARAB9A
SCHEMBL4360431 0.86 BCAT1 (0.46) MEN1KMT2ATDP1MAOBRAB9A
SCHEMBL4540500 0.85 BCAT1 (0.49) MAOBMAOARAB9ANPC1
SCHEMBL4365917 0.83 PIM1 (0.48) MAPTTDP1MAOBRAB9ANPC1
SCHEMBL4361498 0.82 FFAR1 (0.41) MEN1KMT2AMAPTTDP1MAOB
SCHEMBL4366281 0.80 KMT2A (0.54) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL4363200 0.78 SPHK2 (0.41) MEN1KMT2AMAOBRAB9ANPC1

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 CTSV 769/4885CTSL 2339/4885MEN1 4797/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 CTSV 453/4885CTSL 1951/4885MEN1 4762/4885

“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.