SCHEMBL2862299

SCHEMBL2862299

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2N2CCN(C)CC2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 1/20 0.49
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MITF O75030 1/20 0.42
IKBKB O14920 1/20 0.42
MET P08581 3/20 0.41
KDR P35968 1/20 0.41
S1PR1 P21453 2/20 0.41
S1PR4 O95977 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL14096279 0.94 ALDH1A1 (0.49) CHIAALDH1A1MAPTMAPK1TDP1
SCHEMBL2865516 0.91 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1TDP1IKBKB
SCHEMBL2862129 0.91 CHIA (0.50) CHIAALDH1A1MAPTMAPK1TDP1
SCHEMBL2877469 0.90 CHIA (0.47) CHIAALDH1A1MAPTMAPK1TDP1
SCHEMBL2866090 0.87 MET (0.47) ALDH1A1MAPTMAPK1TDP1MITF
SCHEMBL2872023 0.87 CHIA (0.54) CHIAALDH1A1MAPTMAPK1TDP1
SCHEMBL2863544 0.86 CHIA (0.52) CHIAALDH1A1MAPTMAPK1TDP1
SCHEMBL2869211 0.84 S1PR4 (0.47) ALDH1A1MAPTMAPK1METKDR
SCHEMBL14096261 0.84 S1PR4 (0.47) ALDH1A1MAPTMAPK1METKDR
SCHEMBL14096277 0.83 MEN1 (0.50) ALDH1A1MAPTS1PR1L3MBTL1MEN1

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.