SCHEMBL17618851

SCHEMBL17618851

CS(=O)(=O)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnco4)n2)[C@H]2CCN3C2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 6/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ BRAF P15056 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MTOR P42345 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ WNT1 P04628 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
SCHEMBL17618856 0.90 DYRK1A (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17618849 0.89 BRAF (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17618857 0.88 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17618769 0.86 RHOA (0.40) BRAFHTR1AGSK3BDYRK1ARHOA
SCHEMBL19670318 0.86 MTOR (0.36) KIF18AHDAC3HDAC4HDAC1HDAC7
SCHEMBL16775780 0.85 IMPDH2 (0.37) BRAFNPC1RAB9AHTR1AIMPDH2
SCHEMBL17618866 0.85 HTR1A (0.34) BRAFHTR1AWNT1GSK3BDYRK1A
SCHEMBL19361178 0.84 NPC1 (0.36) KIF18ANPC1RAB9AACVR1VCP
SCHEMBL19706162 0.83 HDAC3 (0.38) KIF18AHDAC3HDAC4HDAC1HDAC7
SCHEMBL17618774 0.82 RHOA (0.42) HTR1AGSK3BDYRK1ARHOA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KIF18A 2692/4885HDAC3 86/4885HDAC4 132/4885

“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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