SCHEMBL1641109

SCHEMBL1641109

Fc1[c]c(F)c(F)c(-c2ccccn2)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
LMNA P02545 3/20 0.52
CCR1 P32246 3/20 0.52
CCR5 P51681 3/20 0.52
CCR8 P51685 3/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
METAP1 P53582 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52
DOHH Q9BU89 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
NPC1 O15118 5/20 0.45
TP53 P04637 4/20 0.45
RAB9A P51151 4/20 0.45
ALOX15 P16050 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
HTT P42858 2/20 0.45

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
SCHEMBL4140079 0.82 KDM4E (0.62) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31568869 0.82 KDM4E (0.62) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28180497 0.77 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL25992024 0.75 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL1450622 0.74 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL10395611 0.74 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL501755 0.74 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL6795069 0.74 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
SCHEMBL11910164 0.74 KDM4E (0.81) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL4263105 0.74 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9243015-B2 Metallocorroles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-01-26 US claimed
EP-2192899-B1 TRANSITION METAL COMPLEXES OF CORROLES FOR PREVENTING CARDIOVASCULAR DISEASES OR DISORDERS TECHNION RES & DEV FOUNDATION (IL) 2014-10-01 EP claimed
US-20140179918-A1 METALLOCORROLES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-06-26 US claimed
US-8680266-B2 Metallocorroles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-03-25 US claimed
US-20140045809-A1 CORROLES FOR NEUROPROTECTION AND NEURORESCUE TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2014-02-13 US claimed
EP-2244701-B1 CORROLES FOR NEUROPROTECTION AND NEURORESCUE TECHNION RES & DEV FOUNDATION (IL) 2012-05-09 EP claimed
US-20110144078-A1 TRANSITION METAL COMPLEXES OF CORROLES FOR PREVENTING CARDIOVASCULAR DISEASES OR DISORDERS TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2011-06-16 US claimed
US-20110098262-A1 CORROLES FOR NEUROPROTECTION AND NEURORESCUE TECHNION RESEARCH AND DEVELOPEMENT FOUNDATION, LTD. (IL) 2011-04-28 US claimed
US-20100305335-A1 Metallocorroles NATIONAL SCIENCE FOUNDATION 2010-12-02 US claimed
EP-2244701-A2 CORROLES FOR NEUROPROTECTION AND NEURORESCUE Technion Research and Development Foundation, Ltd. (IL) 2010-11-03 EP claimed
EP-1411927-B1 METHOD FOR THE PREPARATION OF SELECTIVELY-SUBSTITUTED CORROLES AND NEW SUBSTITUTED CORROLES TECHNION RES & DEV FOUNDATION (IL) 2010-06-30 EP claimed
EP-2192899-A1 TRANSITION METAL COMPLEXES OF CORROLES FOR PREVENTING CARDIOVASCULAR DISEASES OR DISORDERS Technion Research and Development Foundation, Ltd. (IL) 2010-06-09 EP claimed
WO-2009095923-A2 CORROLES FOR NEUROPROTECTION AND NEURORESCUE TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2009-08-06 WO claimed
WO-2009027965-A1 TRANSITION METAL COMPLEXES OF CORROLES FOR PREVENTING CARDIOVASCULAR DISEASES OR DISORDERS TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2009-03-05 WO claimed
US-6939963-B2 Method for the preparation of selectively-substituted corroles and new substituted corroles TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2005-09-06 US claimed
US-9243015-B2 Metallocorroles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-01-26 US disclosed
EP-2192899-B1 TRANSITION METAL COMPLEXES OF CORROLES FOR PREVENTING CARDIOVASCULAR DISEASES OR DISORDERS TECHNION RES & DEV FOUNDATION (IL) 2014-10-01 EP disclosed
WO-2003004021-A1 METHOD FOR THE PREPARATION OF SELECTIVELY-SUBSTITUTED CORROLES AND NEW SUBSTITUTED CORROLES TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2003-01-16 WO disclosed
EP-1117666-A2 PROCESS FOR THE PREPARATION OF CORROLES AND SEVERAL SUCH NEW COMPOUNDS, INCLUDING CHIRAL DERIVATIVES, AND THE USE THEREOF Technion Research & Development Foundation Limited (IL) 2001-07-25 EP disclosed
WO-2000018771-A2 PROCESS FOR THE PREPARATION OF CORROLES AND SEVERAL SUCH NEW COMPOUNDS, INCLUDING CHIRAL DERIVATIVES, AND THE USE THEREOF TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2000-04-06 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 (5 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-20110098262-A1 CORROLES FOR NEUROPROTECTION AND NEURORESCUE IAPP, CASP3, SOD1 KDM4E 3725/4885LMNA 3996/4885CCR1 1065/4885
US-20140045809-A1 CORROLES FOR NEUROPROTECTION AND NEURORESCUE IAPP, CASP3, SOD1 KDM4E 3725/4885LMNA 3996/4885CCR1 1065/4885
US-20140179918-A1 METALLOCORROLES PPOX, OCIAD1, OXA1L KDM4E 4096/4885LMNA 4764/4885CCR1 4495/4885
US-20100305335-A1 Metallocorroles PPOX, OCIAD1, OPRD1 KDM4E 4210/4885LMNA 4819/4885CCR1 4614/4885
US-20110144078-A1 TRANSITION METAL COMPLEXES OF CORROLES FOR PREVENTING CARDIOVASCULAR DISEASES OR DISORDERS FABP3, SLC39A14, SLC39A3 KDM4E 4810/4885LMNA 955/4885CCR1 3361/4885

“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.