Sugi Predict

Sugi Predict / Compounds / SCHEMBL11946126

SCHEMBL11946126

SCHEMBL11946126

CCC1(COc2c(N3CCNCC3)cnn(-c3cc(F)cc(F)c3)c2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 6/20 0.34
▸ ALDH1A1 P00352 6/20 0.34
▸ CYP1A2 P05177 6/20 0.34
▸ CYP3A4 P08684 6/20 0.34
▸ CASP1 P29466 6/20 0.34
▸ CASP7 P55210 6/20 0.34
▸ HIF1A Q16665 6/20 0.34
▸ CYP2C9 P11712 4/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ GLA P06280 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ SLC2A3 P11169 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TP53 P04637 4/20 0.34
▸ HTR1A P08908 3/20 0.33
▸ HTR2C P28335 3/20 0.33
▸ HTR6 P50406 2/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR1D P28221 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
SCHEMBL17058101 0.91 HTR1A (0.33) USP2ALDH1A1CYP1A2CYP3A4CASP1
SCHEMBL17058285 0.90 HTR1A (0.33) USP2ALDH1A1CYP1A2CYP3A4CASP1
SCHEMBL11946125 0.89 POLB (0.40) USP2ALDH1A1CYP1A2CYP3A4CASP1
SCHEMBL14899899 0.88 USP2 (0.35) USP2ALDH1A1CYP1A2CYP3A4CASP1
SCHEMBL14899770 0.87 MCHR1 (0.33) USP2ALDH1A1CYP1A2CYP3A4CASP1
SCHEMBL17058090 0.82 ALDH1A1 (0.38) USP2ALDH1A1CYP1A2CYP3A4CASP1
SCHEMBL14899779 0.81 ALDH1A1 (0.37) USP2ALDH1A1CYP1A2CYP3A4CASP1
SCHEMBL11946122 0.81 POLB (0.39) USP2ALDH1A1CYP1A2CYP3A4CASP1
SCHEMBL11946137 0.80 MAPT (0.46) ALDH1A1CYP3A4HSD17B10TSHRSLC2A1
SCHEMBL17058270 0.80 CYP1A2 (0.35) USP2ALDH1A1CYP1A2CYP3A4CASP1

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-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — 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 (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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA USP2 3913/4885ALDH1A1 2437/4885CYP1A2 310/4885

“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.

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