SCHEMBL3998680

SCHEMBL3998680

C1CNCCNCCCNCCNCCCNCCNCCCNCCNC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 9/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
HIF1A Q16665 1/20 0.67
MAPT P10636 1/20 0.67
PDE4A P27815 1/20 0.67
KDR P35968 1/20 0.67
ALDH1A1 P00352 1/20 0.64
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2C P18825 1/20 0.35
CCR2 P41597 1/20 0.35
CXCL12 P48061 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL4287153 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL22199 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
Piperazine SCHEMBL3769649 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL33477 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL8503965 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL18585750 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL576838 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL9947670 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL577659 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL935211 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452845-B2 Mesoporous organic-inorganic hybrid materials for separating gases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-11-18 US claimed
EP-1370563-B1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES CENTRE NAT RECH SCIENT (FR) 2006-09-06 EP claimed
US-20040122250-A1 Mesoporous organic-inorganic hybrid materials for separating gases CENTRE NATIONAL DE LA RECHERCHE-SCIENTIFIQUE (FR) 2004-06-24 US claimed
US-7517512-B2 Mesoporous organic-inorganic hybrid materials for separating gases CENTRE NATIONAL DE LA RECHERCHE-SCIENTIFIQUE (FR) 2009-04-14 US disclosed
US-7452845-B2 Mesoporous organic-inorganic hybrid materials for separating gases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-11-18 US disclosed
US-20080152561-A1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES CENTRE NATIONAL DE LA RECHERCHE-SCIENTIFIQUE (FR) 2008-06-26 US disclosed
EP-1370563-B1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES CENTRE NAT RECH SCIENT (FR) 2006-09-06 EP disclosed
EP-1070722-B1 Silica with polyazacycloalkane units containing more than six nitrogen atoms, process for their preparation and use AIR LIQUIDE (FR) 2004-08-11 EP disclosed
US-20040122250-A1 Mesoporous organic-inorganic hybrid materials for separating gases CENTRE NATIONAL DE LA RECHERCHE-SCIENTIFIQUE (FR) 2004-06-24 US disclosed
US-6534649-B1 Novel material which can be used in separation and purification of gases L'AIR LIQUIDE, SOCIETE ANONYME A DIRECTOIRE ET CONSEIL DE SURVEILLANCE POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2003-03-18 US disclosed
EP-1070722-A9 Silica with polyazacycloalkane units containing more than six nitrogen atoms, process for their preparation and use L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2001-04-04 EP disclosed
EP-1070722-A1 Silica with polyazacycloalkane units containing more than six nitrogen atoms, process for their preparation and use L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2001-01-24 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-20040122250-A1 Mesoporous organic-inorganic hybrid materials for separating gases SCO2, IPO9, IPO4 CXCR4 1677/4885SMN1; SMN2 2963/4885HIF1A 3377/4885
US-20080152561-A1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES ZYX, IPO9, IPO4 CXCR4 1130/4885SMN1; SMN2 3631/4885HIF1A 2201/4885

“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.