SCHEMBL1676642

SCHEMBL1676642

Nc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(Br)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
AMY1A P0DUB6 1/20 0.36
EGFR P00533 4/20 0.35
MET P08581 3/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
DHODH Q02127 1/20 0.33
CXCR2 P25025 2/20 0.33
GPR183 P32249 1/20 0.33
MGAM O43451 2/20 0.32
GAA P10253 2/20 0.32
SI P14410 2/20 0.32
MGAM2 Q2M2H8 2/20 0.32
MAPT P10636 1/20 0.32
KCNH2 Q12809 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
MAOA P21397 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL1676640 1.00 LMNA (0.41) LMNAAMY1AEGFRMETHSP90AA1
SCHEMBL6514437 0.88 DHODH (0.37) LMNADHODHGPR183MAPTHDAC6
SCHEMBL6514442 0.88 DHODH (0.37) LMNADHODHGPR183MAPTHDAC6
SCHEMBL1481483 0.86 KDM4E (0.44) LMNAMAPTHDAC6
SCHEMBL1676211 0.86 KDM4E (0.44) DHODHGPR183MAPT
SCHEMBL1676214 0.86 KDM4E (0.44) DHODHGPR183MAPT
SCHEMBL1481480 0.86 KDM4E (0.44) LMNAMAPTHDAC6
SCHEMBL1676823 0.85 PIK3CA (0.41) LMNAMAPTMAOA
SCHEMBL1676821 0.85 PIK3CA (0.41) LMNAMAPTMAOA
SCHEMBL1481437 0.85 FLT3 (0.38) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE LMNA 4379/4885AMY1A 613/4885EGFR 2135/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE LMNA 4379/4885AMY1A 613/4885EGFR 2135/4885

“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.