SCHEMBL7916802

SCHEMBL7916802

COc1ccc(-c2c(C)ccc3ccc(C(=O)N=C(N)N)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.42
SLC9A1 P19634 3/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PARP4 Q9UKK3 1/20 0.41
MAP4K4 O95819 1/20 0.40
HTR7 P34969 2/20 0.40
HTR2B P41595 2/20 0.40
BACE1 P56817 1/20 0.39
PLAU P00749 2/20 0.39

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
SCHEMBL7916799 0.85 HTR5A (0.51) HTR5ASLC9A1HTR7HTR2B
SCHEMBL16502444 0.83 KDM4E (0.56) CA1CA2PARP1PARP10PARP2
SCHEMBL16502446 0.82 CA1 (0.53) CA1CA2PLAU
SCHEMBL7916007 0.82 HTR5A (0.41) HTR5ASLC9A1HTR7HTR2B
SCHEMBL7919380 0.82 SLC9A1 (0.48) HTR5ASLC9A1PARP1HTR7HTR2B
SCHEMBL27870126 0.79 KDM4E (0.60) SLC9A1CA1CA2PARP1PARP10
SCHEMBL16502757 0.77 HTR2B (0.46) HTR5ASLC9A1HTR7HTR2B
SCHEMBL9909287 0.75 HTR5A (0.59) HTR5AMAP4K4PLAU
SCHEMBL3454482 0.74 PARP1 (0.53) CA1CA2PARP1PARP10PARP2
SCHEMBL7919960 0.74 HTR5A (0.49) HTR5ASLC9A1HTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
WO-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 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-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A HTR5A 1/4885SLC9A1 1256/4885CA1 3899/4885

“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.