Sugi Predict

Sugi Predict / Compounds / SCHEMBL1725950

SCHEMBL1725950

SCHEMBL1725950

Cn1c(Nc2cc(CNC(=O)C3(C)CCCCC3)ccc2Cl)nc2cc(Cl)c(NC(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 9/20 0.47
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ MAPT P10636 2/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ S100A4 P26447 1/20 0.37
▸ EIF4H Q15056 1/20 0.37
▸ DRD2 P14416 2/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ RET P07949 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 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
SCHEMBL16192919 0.90 PTGES (0.44) PTGESMEN1KMT2AMAPTPABPC1
SCHEMBL3101642 0.89 PTGES (0.47) PTGESMEN1KMT2APOLBHPGD
SCHEMBL3094931 0.89 PTGES (0.47) PTGESMEN1KMT2AMAPTPABPC1
SCHEMBL3106280 0.89 PTGES (0.47) PTGES
SCHEMBL3111258 0.88 PTGES (0.48) PTGESKMT2AMAPTHPGDNPSR1
SCHEMBL13190060 0.87 PTGES (0.46) PTGES
SCHEMBL9939885 0.83 PTGES (0.44) PTGESDRD2DRD4TRPV1
SCHEMBL3094236 0.82 PTGES (0.45) PTGESMEN1KMT2AHPGDALDH1A1
SCHEMBL3093498 0.81 PTGES (0.51) PTGESMEN1KMT2APOLBHPGD
SCHEMBL13190118 0.81 PTGES (0.47) PTGESKMT2AMAPTHPGDNPSR1

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-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 — — US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 — — EP disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 — — US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 — — US disclosed
EP-2403852-A1 3H-IMIDAZO [4, 5 -C]PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2012-01-11 — — EP disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 — — US disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 — — 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 (3 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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885MEN1 2565/4885KMT2A 3186/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885MEN1 2565/4885KMT2A 3186/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885MEN1 2565/4885KMT2A 3186/4885

“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.