SCHEMBL19699091

SCHEMBL19699091

CCCn1cc(-c2cccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CCC[C@H]3C4)c2)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ IDH2 P48735 4/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ KDR P35968 2/20 0.37
▸ TEK Q02763 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ UBE2M P61081 4/20 0.37
▸ DCUN1D1 Q96GG9 4/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ AURKA O14965 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL16754378 0.91 IDH2 (0.38) MAPTIDH2SIRT2KDRTEK
SCHEMBL17601648 0.90 IDH2 (0.36) MAPTIDH2SIRT2KDRTEK
SCHEMBL16250004 0.89 MAPT (0.35) MAPTIDH2SIRT2KDRTEK
SCHEMBL17624574 0.85 MAPT (0.36) MAPTSIRT2KDRTEKNPC1
SCHEMBL17618372 0.84 IDH2 (0.40) MAPTIDH2LMNAKDM4EUSP2
SCHEMBL17618878 0.83 IDH2 (0.42) MAPTIDH2LMNAKDM4EUSP2
SCHEMBL17618783 0.82 MEN1 (0.47) MAPTIDH2LMNAKDM4EUSP2
SCHEMBL17624591 0.82 IDH2 (0.42) MAPTIDH2KDRLMNAKDM4E
SCHEMBL16249947 0.82 IDH2 (0.42) MAPTIDH2KDRLMNAKDM4E
SCHEMBL19365635 0.82 IDH2 (0.42) MAPTIDH2KDRLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPT 267/4885IDH2 34/4885SIRT2 3/4885

“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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