SCHEMBL16444453

SCHEMBL16444453

CC(C)(C)OC(=O)C=CCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ RECQL P46063 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ TSHR P16473 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ CTSD P07339 2/20 0.36
▸ CTSL P07711 2/20 0.36
▸ CTSB P07858 2/20 0.36
▸ CTSS P25774 2/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ CTSK P43235 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ GLA P06280 1/20 0.34

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
SCHEMBL15584092 1.00 SMN1; SMN2 (0.46) SMN1; SMN2USP2RECQLMEN1KMT2A
SCHEMBL24541953 0.85 CTSK (0.38) SMN1; SMN2USP2MEN1KMT2ACTSK
SCHEMBL15584090 0.83 PAOX (0.37) SMN1; SMN2USP2KDM4EALDH1A1CTSK
SCHEMBL17140897 0.82 KDM4E (0.41) SMN1; SMN2USP2MEN1KMT2AKDM4E
SCHEMBL17140900 0.82 KDM4E (0.41) SMN1; SMN2USP2MEN1KMT2AKDM4E
SCHEMBL16450075 0.80 HRH2 (0.33) SMN1; SMN2TSHR
SCHEMBL19675939 0.80 CACNA1H (0.33) KMT2AKDM4ETSHRALDH1A1HSD17B10
SCHEMBL19533587 0.79 TSHR (0.49) SMN1; SMN2RECQLKMT2AKDM4ETSHR
SCHEMBL18133903 0.79 SMN1; SMN2 (0.41) SMN1; SMN2USP2RECQLMEN1KMT2A
SCHEMBL17140903 0.78 KDM4E (0.37) SMN1; SMN2MEN1KMT2AKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2840080-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2017-12-06 — — EP disclosed
US-9145415-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2015-09-29 — — US disclosed
EP-2840080-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF Fujifilm Corporation (JP) 2015-02-25 — — EP disclosed
US-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-02-12 — — 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-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FLT3, NPM1, ABL1 SMN1; SMN2 4213/4885USP2 4503/4885RECQL 3700/4885

“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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