Sugi Predict

Sugi Predict / Compounds / SCHEMBL1676802

SCHEMBL1676802

SCHEMBL1676802

CC(C)(C)c1ccc(Oc2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc([N+](=O)[O-])cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HSP90AA1 P07900 2/20 0.42
▸ HSP90AB1 P08238 2/20 0.42
▸ MDM2 Q00987 4/20 0.39
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TGM2 P21980 1/20 0.34
▸ PSD A5PKW4 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
SCHEMBL1676804 1.00 MAPT (0.42) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL1676757 0.92 TGM2 (0.40) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL1676760 0.92 TGM2 (0.40) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL1480229 0.85 KDM4E (0.40) NPC1RAB9ASMN1; SMN2TGM2MEN1
SCHEMBL1480227 0.85 KDM4E (0.40) NPC1RAB9ASMN1; SMN2TGM2MEN1
SCHEMBL1480513 0.85 DRD2 (0.42) MAPTPTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL1480510 0.85 DRD2 (0.42) MAPTPTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL1676734 0.84 TGM2 (0.43) MAPTNPC1RAB9ALMNAHTT
SCHEMBL1676821 0.84 PIK3CA (0.41) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL1676736 0.84 TGM2 (0.43) MAPTNPC1RAB9ALMNAHTT

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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 — — US disclosed
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 MAPT 3251/4885ALDH1A1 747/4885NPC1 3228/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE MAPT 3251/4885ALDH1A1 747/4885NPC1 3228/4885

“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.