SCHEMBL16776351

SCHEMBL16776351

C[C@@H]1CCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1nnc(C(C)(C)C)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ RPS6KA2 Q15349 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KMO O15229 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
SCHEMBL16785652 0.95 KMT2A (0.38) HPGDKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL16776350 0.90 USP2 (0.40) HPGDKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL16776349 0.89 KMT2A (0.47) HPGDKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL16776352 0.87 KMT2A (0.42) HPGDKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL16776348 0.86 NR3C1 (0.38) ADORA2ACNR1CNR2FYNTRPA1
SCHEMBL16775863 0.85 TRPA1 (0.41) HPGDKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL16775882 0.84 SMN1; SMN2 (0.38) HPGDKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL16776479 0.84 SLC5A1 (0.41) KMT2ASMN1; SMN2MAPTFYNMEN1
SCHEMBL16776472 0.83 CA2 (0.41) ADORA2ACNR1CNR2FYNJAK2
SCHEMBL16785537 0.82 SCN9A (0.39) ADORA2ACNR2FYNJAK2KMO

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 HPGD 302/4885KMT2A 1438/4885KDM4E 950/4885

“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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