SCHEMBL2867540

SCHEMBL2867540

O=C(NC(=S)Nc1cccc(Oc2ccccc2)c1)c1cccnc1C(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDR P35968 3/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 2/20 0.43
DGAT1 O75907 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
GPR142 Q7Z601 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2865429 0.83 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2KDRKMT2A
SCHEMBL2869847 0.82 EPHX2 (0.51) KDR
SCHEMBL3146452 0.81 SMN1; SMN2 (0.49) MAPTALDH1A1SMN1; SMN2HSD17B10MEN1
SCHEMBL2866106 0.80 EPHX1 (0.47) MAPTALDH1A1SMN1; SMN2KDRMEN1
SCHEMBL2868549 0.80 KMT2A (0.51) MAPTALDH1A1SMN1; SMN2KDRMEN1
SCHEMBL2865599 0.80 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2KDRMEN1
SCHEMBL2861364 0.79 MEN1 (0.54) MAPTALDH1A1KDRHSD17B10MEN1
SCHEMBL2860279 0.79 KDR (0.52) MAPTALDH1A1SMN1; SMN2KDRMEN1
SCHEMBL2865777 0.78 HTT (0.55) MAPTALDH1A1SMN1; SMN2KDRMEN1
SCHEMBL14096264 0.78 KDR (0.51) MAPTALDH1A1SMN1; SMN2KDRMEN1

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-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US claimed
CN-101087755-A Substituted arylacylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2007-12-12 CN claimed
EP-1747196-A2 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2007-01-31 EP claimed
WO-2006083271-A2 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-10 WO claimed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US claimed
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 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-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC MAPT 3157/4885ALDH1A1 176/4885SMN1; SMN2 3029/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC MAPT 3157/4885ALDH1A1 176/4885SMN1; SMN2 3029/4885

“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.