SCHEMBL3107802

SCHEMBL3107802

NNC(=O)c1ccc(-c2cnc(N3CCN(CC4CCCC4)CC3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
PRKAA2 P54646 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
KDM1A O60341 1/20 0.39
MTOR P42345 1/20 0.39
TRPA1 O75762 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
CHRM4 P08173 1/20 0.38
KDM2B Q8NHM5 1/20 0.38

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
SCHEMBL3104764 0.86 CHKA (0.44) CASP1CASP4CASP5CD274CHRM4
SCHEMBL13098873 0.81 KDM4E (0.44) CD274
SCHEMBL13098941 0.81 KDM1A (0.39) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL6235992 0.81 HDAC3 (0.54) HDAC6CHRM4
SCHEMBL6132372 0.80 HDAC3 (0.53) HDAC6CHRM4
SCHEMBL13098926 0.80 MAP4K4 (0.45) HDAC6KDM1ACD274
SCHEMBL13098938 0.77 ADRA1A (0.41) HDAC6KDM1ACD274
SCHEMBL27793057 0.74 BCL2L1 (0.45) CASP1CASP4CASP5PRKAA2MTOR
SCHEMBL27814329 0.72 CASP1 (0.40) CASP1CASP4CASP5
SCHEMBL3091661 0.71 KDM4E (0.36) CASP1CASP4CASP5TRPA1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101861330-A Polypeptide compound ASTELLAS PHARMA INC 2010-10-13 CN disclosed
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2204379-A1 POLYPEPTIDE COMPOUND Astellas Pharma Inc. (JP) 2010-07-07 EP 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-20100256048-A1 POLYPEPTIDE COMPOUND VIP, ANPEP, NPEPPS CASP1 388/4885CASP4 339/4885CASP5 497/4885

“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.