SCHEMBL8935918

SCHEMBL8935918

C1CNCCSCCNCCN1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.50
MAPT P10636 1/20 0.50
PDE4A P27815 1/20 0.50
KDR P35968 1/20 0.50
CXCR4 P61073 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL1781384 1.00
Piperazine SCHEMBL1063977 1.00 HIF1A (0.50) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL8003633 0.96 HIF1A (0.46) HIF1AMAPTPDE4AKDRCXCR4
Hydrochloric Acid SCHEMBL7744897 0.96 HIF1A (0.46) HIF1AMAPTPDE4AKDRCXCR4
Bromide SCHEMBL7745419 0.96 HIF1A (0.46) HIF1AMAPTPDE4AKDRCXCR4
Thiomorpholine SCHEMBL93637 0.96 HIF1A (0.42) HIF1AMAPTPDE4AKDRCXCR4
Thiomorpholine SCHEMBL145846 0.96
Thiomorpholine SCHEMBL2273 0.96
SCHEMBL9873225 0.96 HIF1A (0.42) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL1615244 0.92 HIF1A (0.39) HIF1AMAPTPDE4AKDRCXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100036122-A1 CLEAVAGE AGENT SELECTIVELY ACTING ON SOLUBLE ASSEMBLY OF AMYLOIDOGENIC PEPTIDE OR PROTEIN SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KP) 2010-02-11 US disclosed
US-20100036122-A1 CLEAVAGE AGENT SELECTIVELY ACTING ON SOLUBLE ASSEMBLY OF AMYLOIDOGENIC PEPTIDE OR PROTEIN SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KP) 2010-02-11 US disclosed
US-5531978-A CHELATE COMPOUNDS, IMAGING NYCOMED IMAGING AS (NO) 1996-07-02 US disclosed
US-5419893-A Aminopolycarboxylic acids and derivatives thereof for magnetic resonance imaging NYCOMED IMAGING AS (NO) 1995-05-30 US disclosed
US-5198208-A Chelate compounds for diagnosis by magnetic resonance imaging, ultrasound or radiation therapy NYCOMED IMAGING AS (NO) 1993-03-30 US disclosed
EP-0466200-A1 Aminocarboxylic acids and derivatives thereof NYCOMED IMAGING AS (NO) 1992-01-15 EP disclosed
WO-1989000557-A1 AMINOPOLYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF COCKBAIN, JULIAN, RODERICK, MICHAELSON (GB) 1989-01-26 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-20100036122-A1 CLEAVAGE AGENT SELECTIVELY ACTING ON SOLUBLE ASSEMBLY OF AMYLOIDOGENIC PEPTIDE OR PROTEIN APP, BACE1, IAPP HIF1A 3880/4885MAPT 497/4885PDE4A 3002/4885

“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.