Sugi Predict

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SCHEMBL1480762

SCHEMBL1480762

COc1ccc(C#Cc2ccc(OC)c(/C=C/c3nc(-c4ccc(Cl)cc4Cl)c[nH]3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ THRB P10828 1/20 0.36
▸ CXCR2 P25025 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ATM Q13315 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP1A1 P04798 2/20 0.34
▸ CYP1B1 Q16678 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34

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
SCHEMBL1480765 1.00 MEN1 (0.37) MEN1KMT2AMAPTTHRBCXCR2
SCHEMBL1480954 0.89 PTGDR2 (0.43) TDP1HTTPTGDR2
SCHEMBL1480949 0.89 PTGDR2 (0.43) TDP1HTTPTGDR2
SCHEMBL12828682 0.88 DPP4 (0.38) MEN1KMT2AMAPTTHRBCXCR2
SCHEMBL1481310 0.88 RELA (0.41) MEN1KMT2AMAPTTHRBCXCR2
SCHEMBL1481308 0.88 RELA (0.41) MEN1KMT2AMAPTTHRBCXCR2
SCHEMBL1481793 0.88 LPAR2 (0.42) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL1481791 0.88 LPAR2 (0.42) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL1481283 0.87 PTPN1 (0.38) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL1481284 0.87 PTPN1 (0.38) MEN1KMT2AMAPTALDH1A1GAA

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 6 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
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 — — 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
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 — — 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 (4 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ MEN1 3467/4885KMT2A 1996/4885MAPT 3558/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE MEN1 2851/4885KMT2A 2145/4885MAPT 3251/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE MEN1 2851/4885KMT2A 2145/4885MAPT 3251/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ MEN1 3467/4885KMT2A 1996/4885MAPT 3558/4885

“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.