Sugi Predict

Sugi Predict / Compounds / SCHEMBL3707402

SCHEMBL3707402

SCHEMBL3707402

CCN/C=C(\C(=O)OCC)C(=O)c1cc(Br)cnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.43
▸ GPR35 Q9HC97 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ GAA P10253 4/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ NPY2R P49146 1/20 0.36

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
SCHEMBL3707407 1.00 NPSR1 (0.43) NPSR1GPR35ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL3700352 0.87 CNR2 (0.31) NPSR1LMNA
SCHEMBL3700357 0.87 CNR2 (0.31) NPSR1LMNA
SCHEMBL3977484 0.86 NPSR1 (0.43) NPSR1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL3977483 0.86 NPSR1 (0.43) NPSR1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL20240759 0.83 NPSR1 (0.40) NPSR1GPR35ALDH1A1CYP2D6MAPT
SCHEMBL3694140 0.83 NPSR1 (0.40) NPSR1GPR35ALDH1A1CYP2D6MAPT
SCHEMBL3694142 0.83 NPSR1 (0.40) NPSR1GPR35ALDH1A1CYP2D6MAPT
SCHEMBL20521931 0.82 MEN1 (0.39) NPSR1GPR35ALDH1A1CYP2D6MAPT
SCHEMBL29705213 0.82 MEN1 (0.39) NPSR1GPR35ALDH1A1CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569484-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2013-10-29 — — US disclosed
US-8569484-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2013-10-29 — — US disclosed
US-8569484-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2013-10-29 — — US disclosed
US-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2012-05-17 — — US disclosed
US-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2012-05-17 — — US disclosed
US-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2012-05-17 — — US disclosed
WO-2010136817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-12-02 — — 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-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 NPSR1 3406/4885GPR35 2275/4885ALDH1A1 847/4885

“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.