SCHEMBL19706044

SCHEMBL19706044

C[C@@H]1CCN(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1cccc(-c2cnc(CNC(=N)N)o2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ EPHB4 P54760 2/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ PTGES O14684 1/20 0.33
▸ RAF1 P04049 4/20 0.33
▸ BRAF P15056 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ KDM1A O60341 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
SCHEMBL19706043 0.91 FYN (0.38) FYNMAPTCA2CA9EPHB4
SCHEMBL17618334 0.88 TRPV1 (0.36) FYNMAPTCA2CA9EPHB4
SCHEMBL20632954 0.88 FYN (0.37) FYNMAPTCA2CA9EPHB4
SCHEMBL16249949 0.87 FYN (0.34) FYNMAPTCA2CA9EPHB4
Trifluoroacetic Acid SCHEMBL16238443 0.85 TRPV1 (0.34) FYNMAPTCA2CA9EPHB4
SCHEMBL19670177 0.82 FYN (0.36) FYNCA2CA9EPHB4TRPV1
SCHEMBL16775772 0.82 FYN (0.37) FYNMAPTEPHB4TRPV1PTGES
SCHEMBL19365904 0.81 MAPT (0.43) FYNMAPTCA2CA9TRPV1
SCHEMBL16237965 0.80 KMT2A (0.37) FYNMAPTTRPV1RAF1BRAF
SCHEMBL19365254 0.79 HTR2C (0.47) MAPTTRPV1MEN1KMT2ANPC1

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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 (3 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FYN 3025/4885MAPT 303/4885CA2 4636/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FYN 2694/4885MAPT 267/4885CA2 4253/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FYN 2694/4885MAPT 267/4885CA2 4253/4885

“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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