SCHEMBL19365451

SCHEMBL19365451

Nc1ccc(-c2cncc(C(F)(F)F)c2)nc1N(C(=O)Nc1cccnn1)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ FAAH O00519 3/20 0.34
▸ CHRNA7 P36544 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.33
▸ PTGS2 P35354 9/20 0.32
▸ CTPS1 P17812 2/20 0.32
▸ PTGES O14684 2/20 0.31

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
SCHEMBL19365471 0.90 ATR (0.36) HDAC3HDAC1HDAC2CHRNA7POLB
SCHEMBL19365521 0.90 POLB (0.39) HDAC1FAAHPOLBRAB9A
SCHEMBL19670372 0.89 HDAC1 (0.36) HDAC3HDAC1HDAC2RAB9A
SCHEMBL19365567 0.88 HDAC1 (0.43) HDAC3HDAC1HDAC2POLB
SCHEMBL19365478 0.87 HDAC3 (0.40) HTR2AHTR2CHDAC3HDAC1HDAC2
SCHEMBL19365461 0.87 HDAC1 (0.39) HDAC3HDAC1HDAC2FAAHCHRNA7
SCHEMBL19706241 0.86 HDAC2 (0.35) HDAC3HDAC1HDAC2CTPS1
SCHEMBL19364807 0.86 ATR (0.35) HDAC3HDAC1HDAC2CHRNA7POLB
SCHEMBL19364885 0.86 PIK3C3 (0.35) HDAC3HDAC1HDAC2
SCHEMBL19365556 0.85 UBE2M (0.38) HTR2AHTR2CHDAC3HDAC1HDAC2

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 GABRA1 3990/4885ADRA2C 4718/4885HTR2A 4386/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 GABRA1 3990/4885ADRA2C 4718/4885HTR2A 4386/4885

“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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