SCHEMBL16776349

SCHEMBL16776349

CCc1nnc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3NCC[C@H]2C)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ LMNA P02545 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALOX15 P16050 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
SCHEMBL16785652 0.90 KMT2A (0.38) KMT2AMEN1ALDH1A1HSD17B10HPGD
SCHEMBL16776350 0.89 USP2 (0.40) KMT2AMEN1ALDH1A1HSD17B10HPGD
SCHEMBL16776351 0.89 HPGD (0.37) KMT2AMEN1ALDH1A1HSD17B10HPGD
SCHEMBL16776352 0.87 KMT2A (0.42) KMT2AMEN1ALDH1A1HSD17B10HPGD
SCHEMBL16776348 0.85 NR3C1 (0.38) TRPA1ADORA2A
SCHEMBL16775863 0.84 TRPA1 (0.41) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL16776434 0.84 PTGER3 (0.39) KMT2AMEN1
SCHEMBL16775882 0.84 SMN1; SMN2 (0.38) KMT2AMEN1ALDH1A1HSD17B10HPGD
SCHEMBL16776479 0.83 SLC5A1 (0.41) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL16776472 0.83 CA2 (0.41) MAPK14ADORA2A

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 KMT2A 1438/4885MEN1 3676/4885ALDH1A1 1726/4885

“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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