Sugi Predict

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SCHEMBL339484

SCHEMBL339484

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ CASP1 P29466 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ DPP4 P27487 5/20 0.43
▸ DPP8 Q6V1X1 5/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ DPP9 Q86TI2 4/20 0.41
▸ IDE P14735 1/20 0.40
▸ SLC6A15 Q9H2J7 1/20 0.40

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
SCHEMBL340135 0.89 DPP4 (0.42) TSHRDPP4DPP8DPP9SLC6A15
SCHEMBL339904 0.89 ALPL (0.46) TSHRSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL339827 0.89 DPP4 (0.43) TSHRLMNAKMT2AMEN1DPP4
SCHEMBL340178 0.87 DPP4 (0.42) KMT2AMEN1DPP4DPP8RAB9A
SCHEMBL339040 0.86 DPP4 (0.53) ALDH1A1DPP4DPP8DPP9
SCHEMBL339770 0.85 PIK3CA (0.44) KMT2AMEN1DPP4DPP8RAB9A
SCHEMBL338672 0.85 DPP4 (0.49) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL339964 0.85 DPP4 (0.41) HSD17B10SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL1911458 0.85 DPP4 (0.41) SMN1; SMN2HPGDKMT2AMEN1DPP4
SCHEMBL340329 0.84 KDM4E (0.45) TSHRHSD17B10KDM4ELMNAKMT2A

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 TSHR 2009/4885CASP1 695/4885HSD17B10 213/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC TSHR 2009/4885CASP1 695/4885HSD17B10 213/4885

“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.