SCHEMBL17618863

SCHEMBL17618863

CCCCC(=O)c1cccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 3/20 0.39
▸ UBE2M P61081 4/20 0.38
▸ DCUN1D1 Q96GG9 4/20 0.38
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ IDH2 P48735 2/20 0.37
▸ BRAF P15056 3/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ RAF1 P04049 2/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL17618862 0.96 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTUBE2M
SCHEMBL17618850 0.93 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTUBE2M
SCHEMBL17618820 0.90 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL17618783 0.88 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL17618779 0.88 AURKA (0.44) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL17618865 0.87 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL19706047 0.86 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL17618348 0.85 IDH2 (0.45) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL17618796 0.85 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL17618816 0.84 CYP1A2 (0.48) MEN1KMT2AALDH1A1MAPTLMNA

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 9 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-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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MEN1 3505/4885KMT2A 1287/4885ALDH1A1 1910/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MEN1 3676/4885KMT2A 1438/4885ALDH1A1 1726/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MEN1 3676/4885KMT2A 1438/4885ALDH1A1 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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