SCHEMBL19670494

SCHEMBL19670494

Cc1nc(NC(=O)N2c3nc(-c4cccc(N(C)C)c4)ccc3C3CCCC32)sc1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ FYN P06241 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL19365472 0.86 KDM1A (0.43) SMN1; SMN2NPC1RAB9AFYNALDH1A1
SCHEMBL19670347 0.83 CRHR1 (0.37) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL17618612 0.80 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AFYNALDH1A1
SCHEMBL17618536 0.80 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AFYNALDH1A1
SCHEMBL19365381 0.80 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AFYNALDH1A1
SCHEMBL19365767 0.80 SIRT2 (0.36) SMN1; SMN2FYNCNR1HDAC8
SCHEMBL19670452 0.79 GRM5 (0.38) SMN1; SMN2FYNCNR1HDAC8
SCHEMBL19365759 0.78 FGFR4 (0.41) SMN1; SMN2NPC1RAB9AFYNALDH1A1
SCHEMBL19365543 0.77 BRAF (0.43) CNR1
SCHEMBL16776122 0.75 TP53 (0.36) SMN1; SMN2NPC1RAB9AFYNALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2122/4885NPC1 3380/4885RAB9A 1471/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 SMN1; SMN2 2122/4885NPC1 3380/4885RAB9A 1471/4885

“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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