Sugi Predict

Sugi Predict / Compounds / SCHEMBL2314552

SCHEMBL2314552

SCHEMBL2314552

COCCCOc1cc(N)c(N)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTR2A P28223 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PRSS1 P07477 5/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL26930672 0.83 CYP1A2 (0.52) L3MBTL1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL26930431 0.81 MAPT (0.50) L3MBTL1HTR2ACYP1A2CYP2C9CYP2C19
SCHEMBL89783 0.81 KDM4E (0.34) L3MBTL1TDP1HTR2ACYP1A2CYP2C9
SCHEMBL2311960 0.80 ALDH1A1 (0.50) CYP1A2CYP2C9CYP2C19PRSS1KDM4E
SCHEMBL15826627 0.80 CYP1A2 (0.44) L3MBTL1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL2311868 0.79 CYP1A2 (0.44) CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL89538 0.78 TAAR1 (0.37) L3MBTL1TDP1HTR2ACYP1A2CYP2C9
SCHEMBL9685009 0.77 EGFR (0.34) L3MBTL1KDM4EALDH1A1KMT2AMEN1
SCHEMBL5739311 0.77 SLC6A4 (0.35) L3MBTL1TDP1HTR2ACYP1A2KDM4E
SCHEMBL90718 0.77 POLB (0.37) L3MBTL1TDP1HTR2ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888579-B1 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA SA (FR) 2011-08-03 — — EP disclosed
US-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 — — US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 — — US disclosed
EP-1888579-A2 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF Aventis Pharma S.A. (FR) 2008-02-20 — — EP disclosed
WO-2006123061-A2 FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-11-23 — — WO 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 (1 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-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 L3MBTL1 4536/4885TDP1 891/4885HTR2A 2967/4885

“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.