SCHEMBL4727432

SCHEMBL4727432

Cc1cc(=O)oc2cc(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)OCc3ccccc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 12/20 0.49
SIRT1 Q96EB6 10/20 0.49
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
SIRT3 Q9NTG7 4/20 0.47
SIRT5 Q9NXA8 3/20 0.47

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
SCHEMBL4076285 1.00 SIRT2 (0.49) SIRT2SIRT1RAB9ATDP1SIRT3
SCHEMBL29357392 1.00 SIRT2 (0.49) SIRT2SIRT1RAB9ATDP1SIRT3
SCHEMBL10727549 0.98 SIRT2 (0.50) SIRT2SIRT1RAB9ATDP1SIRT3
Hydrochloric Acid SCHEMBL380911 0.98 SIRT2 (0.49) SIRT2SIRT1RAB9ATDP1SIRT3
SCHEMBL1842451 0.97 SIRT2 (0.46) SIRT2SIRT1RAB9ATDP1SIRT3
SCHEMBL29374941 0.97 SIRT2 (0.46) SIRT2SIRT1RAB9ATDP1SIRT3
SCHEMBL31045803 0.97 SIRT2 (0.51) SIRT2SIRT1RAB9ASIRT3
SCHEMBL30070668 0.97 SIRT2 (0.48) SIRT2SIRT1RAB9ATDP1SIRT3
Hydrochloric Acid SCHEMBL31754825 0.96 SIRT2 (0.46) SIRT2SIRT1RAB9ATDP1SIRT3
Hydrochloric Acid SCHEMBL1723683 0.96 SIRT2 (0.46) SIRT2SIRT1RAB9ATDP1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO 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-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 SIRT2 3334/4885SIRT1 2581/4885RAB9A 3292/4885

“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.