Sugi Predict

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SCHEMBL340318

SCHEMBL340318

COCCC(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.43
▸ SMO Q99835 1/20 0.43
▸ DPP4 P27487 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MC4R P32245 4/20 0.38
▸ F10 P00742 3/20 0.38
▸ GRM5 P41594 4/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ SLC2A2 P11168 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL339214 0.92 SLC2A2 (0.44) EPHX2SMOALDH1A1KDM4EMAPT
SCHEMBL339823 0.89 TSHR (0.42) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL339494 0.87 SLC2A1 (0.43) SMODPP4HPGDLMNAMAPT
SCHEMBL339604 0.85 AKT1 (0.44) SMODPP4ALDH1A1LMNAMAPT
SCHEMBL338824 0.85 DPP4 (0.37) DPP4MEN1KMT2AGRM5
SCHEMBL338966 0.84 ALDH1A1 (0.46) EPHX2DPP4ALDH1A1KMT2AKDM4E
SCHEMBL868597 0.82 MAPK1 (0.46) DPP4ALDH1A1KMT2AKDM4ELMNA
SCHEMBL1911465 0.82 IDE (0.46) EPHX2DPP4ALDH1A1KDM4ELMNA
SCHEMBL338785 0.82 DPP4 (0.39) DPP4ALDH1A1KDM4E
SCHEMBL338907 0.81 DPP4 (0.38) DPP4MEN1KMT2AMC4RGRM5

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 9 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

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 EPHX2 3864/4885SMO 1568/4885DPP4 120/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC EPHX2 3864/4885SMO 1568/4885DPP4 120/4885

“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.