SCHEMBL951030

SCHEMBL951030

CN(C)CN1C=C2C(=O)N(C3CCNCC3)CN2C1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
PLAT P00750 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL949949 0.87 JAK2 (0.35) TP53
SCHEMBL950619 0.82 TP53 (0.35) TP53PARP1
SCHEMBL950874 0.80 TP53 (0.31) TP53PARP1
SCHEMBL949126 0.78 TP53 (0.36) TP53PARP1
Hydrochloric Acid SCHEMBL947910 0.77 TP53 (0.36) TP53PARP1
SCHEMBL947606 0.76 TP53 (0.31) TP53
Hydrochloric Acid SCHEMBL947937 0.73 ALDH1A1 (0.33) TP53PARP1
Hydrochloric Acid SCHEMBL949143 0.69 EPHX1 (0.34)
Hydrochloric Acid SCHEMBL3448547 0.69 PARP1 (0.35) PARP1
SCHEMBL6219251 0.69 LMNA (0.33)

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-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 TP53 4661/4885PLAT 462/4885PARP1 963/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 TP53 4591/4885PLAT 464/4885PARP1 873/4885

“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.