SCHEMBL19706016

SCHEMBL19706016

Cc1cc(C(C)CCc2csc(C)n2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 3/20 0.40
▸ TP53 P04637 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 5/20 0.38
▸ HTT P42858 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ PKM P14618 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL18672391 0.73 UHRF1 (0.42) LMNASMN1; SMN2
SCHEMBL13044712 0.72 SLC6A3 (0.45) SLC6A3TP53ALDH1A1KMT2AHTT
SCHEMBL10496105 0.69 UHRF1 (0.45) ALDH1A1KMT2AHTTLMNAMEN1
SCHEMBL22298879 0.69 UHRF1 (0.38) —
SCHEMBL19132985 0.68 CACNA2D1 (0.36) ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL18879378 0.68 KDM4E (0.38) —
SCHEMBL10031019 0.68 PKM (0.51) SLC6A3TP53ALDH1A1KMT2AHTT
SCHEMBL25474417 0.68 UHRF1 (0.43) MAPK1
SCHEMBL18794707 0.68 UHRF1 (0.43) MAPK1
SCHEMBL20411878 0.65 UHRF1 (0.37) ALDH1A1KMT2AHTTLMNATSHR

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-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

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 SLC6A3 4427/4885TP53 349/4885ALDH1A1 1726/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 SLC6A3 4427/4885TP53 349/4885ALDH1A1 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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