SCHEMBL4366198

SCHEMBL4366198

O=C(NC(=S)Nc1cccc(Oc2ccccc2)c1)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 5/20 0.51
THRB P10828 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
F12 P00748 1/20 0.50
FFAR1 O14842 1/20 0.49
MAOB P27338 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALOX12 P18054 1/20 0.45

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
SCHEMBL4366281 0.89 KMT2A (0.54) MAPTNPC1RAB9APOLBKMT2A
SCHEMBL4360387 0.85 NPC1 (0.67) MAPTNPC1RAB9APOLBKMT2A
SCHEMBL4369765 0.85 RAB9A (0.53) MAPTNPC1RAB9APOLBKMT2A
SCHEMBL14096096 0.85 MEN1 (0.53) MAPTNPC1RAB9APOLBKMT2A
SCHEMBL4374032 0.84 MAPT (0.66) MAPTNPC1RAB9APOLBKMT2A
SCHEMBL2862485 0.82 RAB9A (0.53) MAPTNPC1RAB9APOLBKMT2A
SCHEMBL4366836 0.82 RAB9A (0.51) MAPTNPC1RAB9APOLBKMT2A
SCHEMBL3141249 0.81 RAB9A (0.56) MAPTNPC1RAB9APOLBKMT2A
SCHEMBL2910241 0.80 ALDH1A1 (0.62) MAPTNPC1RAB9APOLBKMT2A
Hydrochloric Acid SCHEMBL2910327 0.79 ALDH1A1 (0.61) MAPTNPC1RAB9APOLBKMT2A

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
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-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 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 (3 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 MAPT 3454/4885NPC1 107/4885RAB9A 2176/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 MAPT 4038/4885NPC1 886/4885RAB9A 3144/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 MAPT 3752/4885NPC1 151/4885RAB9A 2273/4885

“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.