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Sugi Predict / Compounds / SCHEMBL1733598

SCHEMBL1733598

SCHEMBL1733598

COc1ccc(-c2cc(C(N)=O)nc(N3CCCCC3)n2)cn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.74
▸ HPGD P15428 6/20 0.74
▸ ALDH1A1 P00352 6/20 0.74
▸ GAA P10253 2/20 0.74
▸ TP53 P04637 1/20 0.74
▸ HSD17B10 Q99714 5/20 0.64
▸ TSHR P16473 2/20 0.64
▸ CASP1 P29466 2/20 0.64
▸ CASP7 P55210 2/20 0.64
▸ HTT P42858 2/20 0.53
▸ GLA P06280 1/20 0.53
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ GPR55 Q9Y2T6 1/20 0.50
▸ MKNK1 Q9BUB5 1/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45

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
SCHEMBL1733605 0.85 KDM4E (1.00) KDM4EHPGDALDH1A1GAATP53
SCHEMBL1734143 0.85 KDM4E (1.00) KDM4EHPGDALDH1A1GAATP53
SCHEMBL1734596 0.84 HPGD (0.77) KDM4EHPGDALDH1A1GAATP53
SCHEMBL1734353 0.81 KDM4E (0.77) KDM4EHPGDALDH1A1GAATP53
SCHEMBL1733652 0.80 ALDH1A1 (0.78) KDM4EHPGDALDH1A1GAATP53
SCHEMBL1733475 0.80 KDM4E (0.78) KDM4EHPGDALDH1A1GAATP53
SCHEMBL1734294 0.80 KDM4E (0.78) KDM4EHPGDALDH1A1GAATP53
SCHEMBL1734545 0.79 KDM4E (0.70) KDM4EHPGDALDH1A1GAATP53
SCHEMBL1733614 0.78 KDM4E (1.00) KDM4EHPGDALDH1A1GAATP53
SCHEMBL1734286 0.78 KDM4E (1.00) KDM4EHPGDALDH1A1GAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 — — US claimed
EP-1891018-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2011-11-16 — — EP claimed
WO-2011131686-A1 A THERMALLY CONTROLLED ASSEMBLY NAPATECH A/S (DK) 2011-10-27 — — WO claimed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 — — US claimed
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 — — US disclosed
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 — — US disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 — — US disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 — — 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 (1 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-20070105833-A1 Modulators of ATP-binding cassette transporters ABCC4, CFTR, ABCC2 KDM4E 3910/4885HPGD 1462/4885ALDH1A1 2670/4885

“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.