SCHEMBL2862129

SCHEMBL2862129

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2N2CCN(C)CC2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 1/20 0.50
ALDH1A1 P00352 6/20 0.46
MAPT P10636 6/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MITF O75030 1/20 0.43
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
LRRK2 Q5S007 1/20 0.40
IKBKB O14920 1/20 0.39
KIF18A Q8NI77 2/20 0.39
S1PR1 P21453 1/20 0.39
TSHR P16473 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL2862299 0.91 CHIA (0.49) CHIAALDH1A1MAPTMAPK1TDP1
SCHEMBL2877469 0.89 CHIA (0.47) CHIAALDH1A1MAPTMAPK1TDP1
SCHEMBL2872023 0.87 CHIA (0.54) CHIAALDH1A1MAPTMAPK1TDP1
SCHEMBL2863544 0.87 CHIA (0.52) CHIAALDH1A1MAPTMAPK1TDP1
SCHEMBL14096279 0.84 ALDH1A1 (0.49) CHIAALDH1A1MAPTMAPK1TDP1
SCHEMBL2865647 0.83 CHIA (0.55) CHIAALDH1A1MAPTMAPK1TDP1
SCHEMBL3141081 0.83 MAPT (0.49) ALDH1A1MAPTMAPK1TDP1HPGD
SCHEMBL14096277 0.82 MEN1 (0.50) ALDH1A1MAPTL3MBTL1KIF18AS1PR1
SCHEMBL2865516 0.82 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1TDP1HPGD
SCHEMBL2868285 0.80 L3MBTL1 (0.49) CHIAALDH1A1MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHIA 588/4885ALDH1A1 176/4885MAPT 3157/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC CHIA 588/4885ALDH1A1 176/4885MAPT 3157/4885

“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.