SCHEMBL17769963

SCHEMBL17769963

O=C(NCC(F)(F)F)c1ccc2c(n1)N(C(=O)Nc1ccc(Br)cn1)[C@H]1CCN2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 3/20 0.35
▸ TSHR P16473 2/20 0.34
▸ CTSS P25774 3/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ FPR3 P25089 2/20 0.32
▸ FPR2 P25090 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CXCR3 P49682 1/20 0.32
▸ DDR1 Q08345 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL22239551 1.00 NPC1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL19714348 0.91 CTSS (0.37) CTSSJAK3JAK2JAK1TYK2
SCHEMBL17770191 0.91 CTSS (0.37) CTSSJAK3JAK2JAK1TYK2
SCHEMBL19714307 0.89 SRPK1 (0.33) CTSSJAK3JAK2JAK1TYK2
SCHEMBL19736482 0.89 GCK (0.36) CTSSJAK3JAK2JAK1TYK2
SCHEMBL19714345 0.89 GCK (0.36) CTSSJAK3JAK2JAK1TYK2
SCHEMBL17770549 0.89 JAK3 (0.36) CTSSJAK3TYK2CXCR3
SCHEMBL17769917 0.88 ACACB (0.36) CTSSJAK3JAK2JAK1TYK2
SCHEMBL19714139 0.88 USP30 (0.40) CTSS
SCHEMBL17770458 0.88 TYK2 (0.36) JAK3JAK2JAK1TYK2CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
US-10072011-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2018-09-11 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
EP-3221317-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079710-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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-10072011-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 NPC1 3047/4885RAB9A 1227/4885ALDH1A1 1067/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NPC1 3047/4885RAB9A 1227/4885ALDH1A1 1067/4885

“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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