Sugi Predict

Sugi Predict / Compounds / SCHEMBL340129

SCHEMBL340129

SCHEMBL340129

CC(=O)NCc1cc2ncc(N3CCOCC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ SCN2A Q99250 2/20 0.39
▸ SCN10A Q9Y5Y9 2/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ CRHR1 P34998 1/20 0.38
▸ MAPK8 P45983 3/20 0.38
▸ P2RX7 Q99572 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ SETDB1 Q15047 1/20 0.37
▸ SLC2A2 P11168 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 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
SCHEMBL339781 0.89 ALDH1A1 (0.38) ALDH1A1SCN2ASCN10ADPP4DPP8
SCHEMBL338930 0.89 CRHR1 (0.41) ALDH1A1DPP4DPP8DPP9CRHR1
SCHEMBL1913165 0.87 CRHR1 (0.42) ALDH1A1DPP4DPP8DPP9CRHR1
SCHEMBL339357 0.86 CRHR1 (0.39) ALDH1A1DPP4DPP8DPP9CRHR1
SCHEMBL338903 0.85 CRHR1 (0.39) ALDH1A1DPP4DPP8DPP9CRHR1
SCHEMBL1911454 0.85 SETDB1 (0.39) ALDH1A1DPP4DPP8DPP9MAPK8
SCHEMBL339635 0.84 AR (0.38) ALDH1A1DPP4DPP8DPP9CRHR1
SCHEMBL339127 0.83 DPP4 (0.43) ALDH1A1DPP4DPP8DPP9CRHR1
SCHEMBL339185 0.82 HTT (0.44) ALDH1A1DPP4DPP8DPP9CRHR1
SCHEMBL338779 0.82 PIK3CB (0.38) ALDH1A1CRHR1MAPK8NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 — — US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 — — US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 — — US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 — — US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 — — US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 — — US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 — — US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 — — US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 — — US disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 — — 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 (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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC ALDH1A1 480/4885SCN2A 1687/4885SCN10A 1278/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC ALDH1A1 480/4885SCN2A 1687/4885SCN10A 1278/4885

“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.