SCHEMBL2868549

SCHEMBL2868549

CN1CCN(C(=O)c2ncccc2C(=O)NC(=S)Nc2cccc(OCc3ccccc3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 4/20 0.47
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.47
ESR2 Q92731 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
UGCG Q16739 2/20 0.44
FAAH O00519 1/20 0.44
POLB P06746 2/20 0.44
F10 P00742 1/20 0.44

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
SCHEMBL2869325 0.87 KMT2A (0.53) KMT2AMEN1RAB9AALDH1A1TDP1
SCHEMBL2862851 0.83 MEN1 (0.56) KMT2AMEN1RAB9AALDH1A1TDP1
SCHEMBL3144855 0.82 KMT2A (0.56) KMT2AMEN1RAB9AALDH1A1TDP1
SCHEMBL4361591 0.81 MEN1 (0.61) KMT2AMEN1RAB9AALDH1A1TDP1
SCHEMBL27690751 0.81 MEN1 (0.56) KMT2AMEN1RAB9AALDH1A1TDP1
SCHEMBL2869300 0.80 MEN1 (0.55) KMT2AMEN1RAB9AALDH1A1TDP1
SCHEMBL2867540 0.80 MAPT (0.45) KMT2AMEN1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2866072 0.80 KMT2A (0.61) KMT2AMEN1RAB9AALDH1A1TDP1
SCHEMBL2868355 0.79 MEN1 (0.58) KMT2AMEN1RAB9AALDH1A1TDP1
SCHEMBL2866075 0.78 MEN1 (0.56) KMT2AMEN1RAB9AALDH1A1TDP1

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 KMT2A 1501/4885MEN1 4268/4885RAB9A 2277/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC KMT2A 1501/4885MEN1 4268/4885RAB9A 2277/4885

“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.