SCHEMBL12499263

SCHEMBL12499263

CCCCC(CCCC)NC(=N)N(C=O)CCCCNC(=O)C(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.43
POLB P06746 1/20 0.41
GPR88 Q9GZN0 5/20 0.39
LMNA P02545 1/20 0.39
PAX8 Q06710 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SIRT2 Q8IXJ6 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
SCHEMBL7603836 0.91 NAAA (0.44) NAAAPOLBLMNAPAX8CYP2C19
SCHEMBL8411133 0.82 HPGD (0.57) LMNACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL12499872 0.81 ACKR3 (0.46) POLBLMNAALDH1A1
SCHEMBL8412186 0.81 RECQL (0.51) CYP1A2CYP2C9CYP2C19
SCHEMBL12499962 0.80 PAOX (0.41)
SCHEMBL8413414 0.80 EPHX1 (0.46)
SCHEMBL7600641 0.76 PAOX (0.39)
SCHEMBL8408146 0.76 MEN1 (0.48) ALDH1A1
SCHEMBL7603785 0.75 NPY5R (0.44) LMNACYP1A2ALDH1A1
SCHEMBL12499902 0.72 TAS1R3 (0.61) LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973067-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2011-07-05 US disclosed
US-7700603-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 US disclosed
US-7592348-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2009-09-22 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-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 NAAA 734/4885POLB 2893/4885GPR88 3171/4885

“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.