SCHEMBL2796321

SCHEMBL2796321

COC(=O)c1cc(=O)n(CCN2CCC(N(Cc3ccc4c(c3)OCCO4)C(=O)O)CC2C(C)(C)C)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 8/20 0.38
HTR3B O95264 8/20 0.38
HTR3A P46098 8/20 0.38
HTR3D Q70Z44 8/20 0.38
HTR3C Q8WXA8 8/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
TAF1 P21675 1/20 0.37
LMNA P02545 4/20 0.37
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL2799030 0.93 UBE2M (0.38) UBE2MDCUN1D1LMNAALDH1A1TP53
SCHEMBL2800004 0.92 TAF1 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2796663 0.90 TAF1 (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2795743 0.89 UBE2M (0.39) UBE2MDCUN1D1LMNAALDH1A1MAPK1
SCHEMBL5046677 0.88 LMNA (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2800239 0.85 LMNA (0.40) UBE2MDCUN1D1LMNAALDH1A1
SCHEMBL2798616 0.85 UBE2M (0.38) UBE2MDCUN1D1LMNAALDH1A1TP53
SCHEMBL2798834 0.85 UBE2M (0.36) UBE2MDCUN1D1LMNASMN1; SMN2NPSR1
SCHEMBL2800311 0.85 UBE2M (0.40) UBE2MDCUN1D1LMNAALDH1A1TP53
SCHEMBL2796969 0.85 KCNH2 (0.39) UBE2MDCUN1D1LMNATP53THRB

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-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 HTR3E 4770/4885HTR3B 4165/4885HTR3A 4231/4885

“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.