SCHEMBL7918322

SCHEMBL7918322

COc1ccc(-c2cccc3ccc(C(=O)N=C(N)N)cc23)cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
HTR5A P47898 8/20 0.46
NNMT P40261 1/20 0.44
SLC9A1 P19634 2/20 0.44
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
HTR2B P41595 2/20 0.40
OXTR P30559 1/20 0.40
KLK3 P07288 1/20 0.40
HTR7 P34969 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL7919750 0.86 HTR5A (0.43) HTR5ASLC9A1HTR2BHTR7
SCHEMBL7921958 0.85 HTR5A (0.49) HTR5ASLC9A1HTR2BHTR7
SCHEMBL16502769 0.84 HTR5A (0.48) HTR5ASLC9A1HTR2BHTR7
SCHEMBL7919380 0.84 SLC9A1 (0.48) HTR5ASLC9A1HTR2BHTR7
SCHEMBL7916638 0.84 HTR5A (0.50) HTR5ASLC9A1HTR2BHTR7
SCHEMBL16502572 0.84 MKNK1 (0.49) MKNK1MKNK2NNMTHSD17B1HSD17B2
SCHEMBL7916001 0.83 HTR5A (0.55) HTR5ASLC9A1
SCHEMBL16502565 0.83 KDM4E (0.50) MKNK1MKNK2NNMTHSD17B1HSD17B2
SCHEMBL16509464 0.82 SLC9A1 (0.45) HTR5ASLC9A1HTR2BHTR7
SCHEMBL7918248 0.82 MKNK1 (0.49) MKNK1MKNK2HTR5ASLC9A1CYP3A4

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-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
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP 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 MKNK1 4067/4885MKNK2 3819/4885HTR5A 1/4885

“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.