SCHEMBL16775882

SCHEMBL16775882

CC(=O)c1sc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3NCC[C@H]2C)nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 3/20 0.37
▸ KDR P35968 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ KDM1A O60341 2/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ MAPT P10636 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL16775863 0.85 TRPA1 (0.41) SMN1; SMN2ALDH1A1ADORA2AKDM1AMAPT
SCHEMBL16785652 0.85 KMT2A (0.38) SMN1; SMN2ALDH1A1HTTLMNAADORA2A
SCHEMBL16776350 0.85 USP2 (0.40) SMN1; SMN2ALDH1A1ADORA2AKMT2AMEN1
SCHEMBL16776351 0.84 HPGD (0.37) SMN1; SMN2ALDH1A1ADORA2AKDM1AKMT2A
SCHEMBL16776348 0.84 NR3C1 (0.38) ADORA2AKDM1AFYNMAOAMAOB
SCHEMBL16776355 0.84 CA2 (0.41) ADORA2AKDM1AFYNDHODHRXFP1
SCHEMBL16776349 0.84 KMT2A (0.47) SMN1; SMN2ALDH1A1HTTLMNAADORA2A
SCHEMBL16776479 0.83 SLC5A1 (0.41) SMN1; SMN2HTTLMNAGAARAB9A
SCHEMBL16776472 0.83 CA2 (0.41) KDRADORA2AKDM1AFYN
SCHEMBL16775885 0.82 ADORA2A (0.36) ADORA2AKDM1AKMT2AMEN1FYN

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2122/4885ALDH1A1 1726/4885HTT 260/4885

“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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