SCHEMBL19689765

SCHEMBL19689765

O=C(Nc1ccnc(OCCCO)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)c(Cl)cc2N2CC[C@H]1C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KIF18A Q8NI77 1/20 0.34
▸ KCNK3 O14649 1/20 0.34
▸ KCNK9 Q9NPC2 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ NPY2R P49146 1/20 0.33
▸ SLC5A1 P13866 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL17778717 1.00 MAPK14 (0.35) MAPK14KDM4EALDH1A1CYP2C9HPGD
SCHEMBL17778778 0.97 KDM4E (0.36) MAPK14KDM4EALDH1A1CYP2C9HPGD
SCHEMBL19699680 0.93 NPY2R (0.36) MAPK14KDM4EALDH1A1CYP2C9HPGD
SCHEMBL17778648 0.91 NPY2R (0.35) MAPK14KDM4EALDH1A1CYP2C9HPGD
SCHEMBL17768001 0.90 ALDH1A1 (0.36) KDM4EALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL19689731 0.90 KDM4E (0.34) MAPK14KDM4EALDH1A1CYP2C9HPGD
SCHEMBL17768037 0.90 KDM4E (0.34) MAPK14KDM4EALDH1A1CYP2C9HPGD
SCHEMBL19689858 0.90 KDM4E (0.34) MAPK14KDM4EALDH1A1CYP2C9HPGD
SCHEMBL19689769 0.90 NPY2R (0.35) MAPK14KDM4EALDH1A1CYP2C9HPGD
Hydrochloric Acid SCHEMBL19689696 0.90 KDM4E (0.34) MAPK14KDM4EALDH1A1CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK14 1292/4885KDM4E 1355/4885ALDH1A1 993/4885

“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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