SCHEMBL21841343

SCHEMBL21841343

Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1N(C(=O)Nc1ccccn1)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ RAB9A P51151 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
▸ CNR2 P34972 1/20 0.39
▸ CTSK P43235 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PHGDH O43175 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ KDM1A O60341 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 2/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37

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
SCHEMBL19670601 0.99 POLB (0.41) KMOPOLBRAB9AMCHR1PIK3CD
SCHEMBL19670421 0.91 MPL (0.44) KMOPOLBRAB9AMCHR1PIK3CD
SCHEMBL19365471 0.89 ATR (0.36) POLBRAB9AALDH1A1
SCHEMBL19365521 0.89 POLB (0.39) KMOPOLBRAB9AMCHR1PIK3CD
SCHEMBL19670247 0.89 PTGS1 (0.39) KMOPOLBRAB9AMCHR1PIK3CD
SCHEMBL19365710 0.87 CNR2 (0.52) KMOMCHR1CNR2ALDH1A1
SCHEMBL19365636 0.86 POLB (0.46) KMOPOLBRAB9AMCHR1PIK3CD
SCHEMBL19706040 0.85 KDM1A (0.40) POLBRAB9AMCHR1PIK3CDPIK3CA
SCHEMBL19365577 0.85 GRM5 (0.38) CNR2ALDH1A1KMT2A
SCHEMBL19364891 0.84 MCHR1 (0.42) MCHR1CNR2ALDH1A1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KMO 768/4885POLB 961/4885RAB9A 1471/4885

“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.

Send feedback