SCHEMBL951913

SCHEMBL951913

O=C(CCN1CCCC1=O)OCc1ncc2n1C(=O)N(C1CCNCC1)C2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TYRO3 Q06418 2/20 0.30
KMT2A Q03164 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 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
Hydrochloric Acid SCHEMBL947902 0.97 F2 (0.34) F2F10
SCHEMBL948168 0.86 TP53 (0.37) F2F10
SCHEMBL948646 0.84 TP53 (0.38) F2F10
SCHEMBL949698 0.77 TP53 (0.38) F2F10
SCHEMBL950873 0.77 F10 (0.35) F2F10
SCHEMBL949102 0.75 TP53 (0.39) F2F10
SCHEMBL947235 0.75 F10 (0.66) F2F10
Hydrochloric Acid SCHEMBL949142 0.75 EPHX1 (0.37) F2F10KMT2A
SCHEMBL950618 0.74 F10 (0.35) F2F10
Hydrochloric Acid SCHEMBL947935 0.74 F10 (0.38) F2F10TSHR

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 F2 2/4885F10 545/4885CCNT1 460/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 F2 1/4885F10 490/4885CCNT1 459/4885

“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.