Sugi Predict

Sugi Predict / Compounds / SCHEMBL338966

SCHEMBL338966

SCHEMBL338966

NCc1cc2ncc(N3CCN(C(=O)C4CC4)CC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ IDE P14735 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ EPHX2 P34913 1/20 0.40
▸ CNR1 P21554 3/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SLC2A2 P11168 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CCR4 P51679 3/20 0.37
▸ DPP4 P27487 3/20 0.37
▸ DPP8 Q6V1X1 2/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL868597 0.96 MAPK1 (0.46) ALDH1A1IDEMAPK1CNR1LMNA
SCHEMBL1911465 0.96 IDE (0.46) ALDH1A1IDEMAPK1EPHX2CNR1
SCHEMBL338734 0.94 SLC2A2 (0.46) ALDH1A1IDEMAPK1EPHX2LMNA
SCHEMBL1911466 0.93 FNTA (0.40) ALDH1A1IDEMAPK1LMNAMAPT
SCHEMBL339823 0.89 TSHR (0.42) ALDH1A1MAPK1LMNAMAPTGAA
SCHEMBL339494 0.89 SLC2A1 (0.43) MAPK1LMNAMAPTNPSR1SLC2A2
SCHEMBL338824 0.89 DPP4 (0.37) CNR1AKT1DPP4DPP8DPP9
SCHEMBL338270 0.87 LMNA (0.46) ALDH1A1MAPK1EPHX2LMNAKDM4E
SCHEMBL339604 0.87 AKT1 (0.44) ALDH1A1LMNAMAPTNPSR1AKT1
SCHEMBL339214 0.85 SLC2A2 (0.44) ALDH1A1EPHX2MAPTKDM4EHTT

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 480/4885IDE 225/4885MAPK1 2427/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC ALDH1A1 480/4885IDE 225/4885MAPK1 2427/4885

“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.