SCHEMBL19670636

SCHEMBL19670636

Cc1ccc(-c2ccc(N)c(N(C(=O)Nc3nc(C)c(C)s3)C3CCCCC3)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PI4KB Q9UBF8 6/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ USP2 O75604 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PIK3C2G O75747 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL19365814 0.89 NPC1 (0.41) RAB9ANPC1SMN1; SMN2PI4KBALDH1A1
SCHEMBL19670378 0.86 RAB9A (0.41) RAB9ANPC1SMN1; SMN2PI4KBCYP3A4
SCHEMBL19365329 0.85 RAB9A (0.39) RAB9ANPC1SMN1; SMN2PI4KBCYP3A4
SCHEMBL19365801 0.83 RAB9A (0.38) RAB9ANPC1SMN1; SMN2PI4KBALDH1A1
SCHEMBL19670283 0.83 RAB9A (0.39) RAB9ANPC1SMN1; SMN2PI4KBALDH1A1
SCHEMBL19670415 0.83 ABL1 (0.46) RAB9ANPC1SMN1; SMN2PI4KBALDH1A1
SCHEMBL19365323 0.82 GRM5 (0.41) MAPK1HDAC1HDAC2KDM4EHDAC3
SCHEMBL19669983 0.81 HDAC1 (0.42) SMN1; SMN2ALDH1A1HDAC1HDAC2HPGD
SCHEMBL19706061 0.81 KDM1A (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL19365336 0.81 ATR (0.37) MAPK1HDAC1HDAC2HPGDMAPT

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 RAB9A 1471/4885NPC1 3380/4885SMN1; SMN2 2122/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RAB9A 1471/4885NPC1 3380/4885SMN1; SMN2 2122/4885

“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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