SCHEMBL8450229

SCHEMBL8450229

O=C(NC(=S)Nc1cccc(OCCc2ccccc2)c1)c1ccnn1C1=CC=CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NR1H4 Q96RI1 2/20 0.42
ALDH1A1 P00352 10/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 4/20 0.39
ALOX12 P18054 2/20 0.39
MAPK1 P28482 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
F10 P00742 2/20 0.37
HTT P42858 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
POLB P06746 1/20 0.36
CCR6 P51684 1/20 0.36

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
SCHEMBL2870834 0.85 BRAF (0.48) RAB9AMEN1KMT2ANR1H4ALDH1A1
SCHEMBL8447273 0.82 BRAF (0.36) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL8449792 0.80 ALDH1A1 (0.41) RAB9AALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL4360424 0.76 MEN1 (0.59) RAB9AMEN1KMT2ANR1H4ALDH1A1
SCHEMBL14096210 0.73 ALDH1A1 (0.53) RAB9AMEN1KMT2ANR1H4ALDH1A1
SCHEMBL4367771 0.72 ALDH1A1 (0.53) RAB9AMEN1KMT2ANR1H4ALDH1A1
SCHEMBL2860381 0.72 MEN1 (0.53) RAB9AMEN1KMT2ANR1H4ALDH1A1
SCHEMBL4365503 0.72 NPC1 (0.63) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL4373600 0.72 ALDH1A1 (0.53) RAB9AMEN1KMT2ANR1H4ALDH1A1
SCHEMBL2862457 0.72 ALDH1A1 (0.64) RAB9AMEN1KMT2ANR1H4ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 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 (1 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 RAB9A 2277/4885MEN1 4268/4885KMT2A 1501/4885

“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.