SCHEMBL17601648

SCHEMBL17601648

CC(C)(C)N(CCn1cc(-c2cccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CCC[C@H]3C4)c2)nn1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ UBE2M P61081 7/20 0.35
▸ DCUN1D1 Q96GG9 7/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ KDR P35968 2/20 0.34
▸ TEK Q02763 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ AURKA O14965 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
SCHEMBL19699091 0.90 MAPT (0.39) IDH2LMNATP53POLBMAPT
SCHEMBL16754378 0.88 IDH2 (0.38) IDH2LMNATP53POLBMAPT
SCHEMBL16250004 0.86 MAPT (0.35) IDH2LMNAMAPTSIRT2TRPV1
SCHEMBL17624574 0.82 MAPT (0.36) MAPTSIRT2KDRTEKAURKA
SCHEMBL17601537 0.81 AURKA (0.38) IDH2MAPTUBE2MDCUN1D1AURKA
SCHEMBL17618372 0.79 IDH2 (0.40) IDH2LMNAMAPTTRPV1KDM4E
SCHEMBL17618878 0.79 IDH2 (0.42) IDH2LMNAMAPTTRPV1KDM4E
SCHEMBL17618333 0.79 AURKA (0.36) POLBMAPTSIRT2KDRTEK
SCHEMBL17618796 0.78 MEN1 (0.45) IDH2LMNAPOLBMAPTTRPV1
SCHEMBL17618783 0.78 MEN1 (0.47) IDH2LMNAMAPTTRPV1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 42/4885LMNA 3671/4885TP53 349/4885

“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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