SCHEMBL19670247

SCHEMBL19670247

Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1N(C(=O)Nc1ccc(F)cn1)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ CETP P11597 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM1A O60341 6/20 0.37
▸ MAOB P27338 4/20 0.37
▸ MAOA P21397 3/20 0.37
▸ HCRTR1 O43613 2/20 0.37
▸ KMO O15229 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL21841343 0.89 KMO (0.41) MCHR1PIK3CDPIK3CAPIK3CGPOLB
SCHEMBL19706193 0.88 CNR2 (0.40) MCHR1HDAC2MEN1ALDH1A1KMT2A
SCHEMBL19670601 0.88 POLB (0.41) MCHR1PIK3CDPIK3CAPIK3CGPOLB
SCHEMBL19670445 0.87 GRM5 (0.39) TRPV1HDAC2
SCHEMBL19670421 0.87 MPL (0.44) MCHR1PIK3CDPIK3CAPIK3CGPOLB
SCHEMBL19365428 0.86 HDAC2 (0.48) MCHR1PIM1HDAC2
SCHEMBL19670603 0.84 POLB (0.43) MCHR1PIK3CDPIK3CAPIK3CGPOLB
SCHEMBL19706040 0.83 KDM1A (0.40) MCHR1PIK3CDPIK3CAPIK3CGPOLB
SCHEMBL19365521 0.83 POLB (0.39) MCHR1PIK3CDPIK3CAPIK3CGPOLB
SCHEMBL19365636 0.82 POLB (0.46) MCHR1PIK3CDPIK3CAPIK3CGPOLB

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 PTGS1 1022/4885MCHR1 4256/4885PIK3CD 3327/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PTGS1 1022/4885MCHR1 4256/4885PIK3CD 3327/4885

“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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