SCHEMBL16776350

SCHEMBL16776350

C[C@@H]1CCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1nnc(-c2ccccc2)s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.40
▸ USP8 P40818 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ WNT3A P56704 5/20 0.38
▸ SLC5A1 P13866 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMO O15229 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ FYN P06241 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
SCHEMBL16776352 0.93 KMT2A (0.42) USP2USP8KMT2AHPGDKDM4E
SCHEMBL16785652 0.92 KMT2A (0.38) KMT2AHPGDKDM4ESMN1; SMN2SLC5A1
SCHEMBL16776351 0.90 HPGD (0.37) KMT2AHPGDKDM4ESMN1; SMN2WNT3A
SCHEMBL16776349 0.89 KMT2A (0.47) USP2KMT2AHPGDKDM4ESMN1; SMN2
SCHEMBL16776479 0.88 SLC5A1 (0.41) KMT2ASMN1; SMN2SLC5A1MEN1KMO
SCHEMBL16776348 0.87 NR3C1 (0.38) KMOADORA2AFYN
SCHEMBL16775863 0.85 TRPA1 (0.41) HPGDKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL16775882 0.85 SMN1; SMN2 (0.38) KMT2AHPGDKDM4ESMN1; SMN2ALDH1A1
SCHEMBL16785537 0.84 SCN9A (0.39) SLC5A1KMOADORA2AFYN
SCHEMBL16776478 0.84 SCN9A (0.39) SLC5A1KMOADORA2AFYN

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 USP2 218/4885USP8 270/4885KMT2A 1438/4885

“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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