SCHEMBL16754589

SCHEMBL16754589

CCNC(=O)c1ccc2c(n1)N(C(=O)Nc1ccccn1)[C@H]1CCN2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA10 Q9GZZ6 1/20 0.36
▸ CHRNA9 Q9UGM1 1/20 0.36
▸ CHIA Q9BZP6 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ GRM5 P41594 2/20 0.36
▸ NOS2 P35228 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
SCHEMBL19713822 0.93 KDM4E (0.39) HTTSMN1; SMN2NPC1TP53RAB9A
SCHEMBL19713868 0.91 MEN1 (0.37) MEN1KMT2AHTTSMN1; SMN2NPC1
SCHEMBL19736462 0.91 MEN1 (0.37) MEN1KMT2AHTTSMN1; SMN2NPC1
SCHEMBL16754557 0.91 GRM5 (0.38) MEN1KMT2AHTTSMN1; SMN2NPC1
SCHEMBL16754627 0.91 KDM4C (0.38) MEN1KMT2AHTTSMN1; SMN2NPC1
SCHEMBL17776519 0.91 GRM5 (0.38) MEN1KMT2AHTTSMN1; SMN2NPC1
SCHEMBL19714331 0.91 TRPV1 (0.38) MEN1KMT2AHTTSMN1; SMN2NPC1
SCHEMBL17777067 0.91 TRPV1 (0.36) MEN1KMT2AHTTSMN1; SMN2NPC1
SCHEMBL17770354 0.91 TRPV1 (0.38) MEN1KMT2AHTTSMN1; SMN2NPC1
SCHEMBL19713698 0.91 JAK2 (0.38) MEN1KMT2AHTTSMN1; SMN2NPC1

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 5 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 claimed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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 MEN1 3676/4885KMT2A 1438/4885HTT 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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