SCHEMBL1734333

SCHEMBL1734333

NC(=O)c1cc(-c2ccccc2)nc(N2CCOCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 1.00
▸ HTT P42858 3/20 1.00
▸ LMNA P02545 2/20 1.00
▸ POLB P06746 1/20 1.00
▸ GPR55 Q9Y2T6 1/20 1.00
▸ KDM4E B2RXH2 5/20 0.77
▸ ALDH1A1 P00352 5/20 0.77
▸ TSHR P16473 3/20 0.77
▸ GAA P10253 2/20 0.77
▸ HPGD P15428 2/20 0.77
▸ CASP1 P29466 1/20 0.77
▸ CASP7 P55210 1/20 0.77
▸ GLA P06280 1/20 0.73
▸ NPSR1 Q6W5P4 2/20 0.58
▸ ATM Q13315 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ TP53 P04637 1/20 0.56
▸ MAPT P10636 2/20 0.51
▸ MAPK1 P28482 1/20 0.51

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
SCHEMBL1733760 0.88 KDM4E (0.92) HSD17B10HTTLMNAPOLBGPR55
SCHEMBL1734410 0.88 KDM4E (0.97) HSD17B10HTTLMNAPOLBGPR55
SCHEMBL3720910 0.88 LMNA (0.78) HSD17B10HTTLMNAPOLBGPR55
SCHEMBL1733522 0.87 KDM4E (1.00) HSD17B10HTTLMNAPOLBGPR55
SCHEMBL1733614 0.87 KDM4E (1.00) HSD17B10HTTLMNAPOLBGPR55
SCHEMBL1734286 0.87 KDM4E (1.00) HSD17B10HTTLMNAPOLBGPR55
SCHEMBL1733670 0.85 KDM4E (0.77) HSD17B10HTTLMNAPOLBGPR55
SCHEMBL1733737 0.84 HSD17B10 (0.73) HSD17B10HTTLMNAPOLBGPR55
SCHEMBL1734659 0.84 HSD17B10 (0.72) HSD17B10HTTLMNAPOLBGPR55
SCHEMBL1734463 0.84 KDM4E (0.76) HSD17B10HTTLMNAPOLBGPR55

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 HSD17B10 2845/4885HTT 2437/4885LMNA 3617/4885

“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.

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