SCHEMBL2869495

SCHEMBL2869495

CN1CCN(c2ncccc2C(=O)NC(=S)Nc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 1/20 0.50
MITF O75030 1/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
KDR P35968 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
NPC1 O15118 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL2861364 0.92 MEN1 (0.54) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL2869325 0.90 KMT2A (0.53) CHIAMITFALDH1A1MAPTLMNA
SCHEMBL3136622 0.83 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL14096264 0.81 KDR (0.51) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL2869300 0.81 MEN1 (0.55) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL2860279 0.80 KDR (0.52) MITFALDH1A1MAPTLMNAKDM4E
SCHEMBL2862325 0.80 MEN1 (0.49) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL2865777 0.80 HTT (0.55) MITFALDH1A1MAPTLMNAHTT
SCHEMBL2868365 0.79 KDR (0.48) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL2865292 0.79 HPGD (0.50) ALDH1A1MAPTLMNAHTTNPSR1

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 CHIA 588/4885MITF 3139/4885ALDH1A1 176/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC CHIA 588/4885MITF 3139/4885ALDH1A1 176/4885

“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.