SCHEMBL417845

SCHEMBL417845

O=Cc1ccccc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
HTT P42858 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 5/20 0.52
ABL1 P00519 1/20 0.52
ALDH1A1 P00352 3/20 0.50
SMO Q99835 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ACHE P22303 1/20 0.47

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
SCHEMBL3245562 0.84 LMNA (0.53) LMNAMAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL26298353 0.81 KDM4E (0.56) LMNAMAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL13234632 0.81 SMN1; SMN2 (0.59) LMNAMAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL8292433 0.80 MAPT (0.45) LMNAMAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL5552939 0.80 MAPT (0.45) LMNAMAPTSMN1; SMN2HTTL3MBTL1
Hydrochloric Acid SCHEMBL31410490 0.80 KDM4E (0.55) LMNAMAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL13216762 0.78 MAPT (0.52) LMNAMAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL8294653 0.78 SMO (0.49) LMNAMAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL8294650 0.78 LMNA (0.46) LMNAMAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL5552852 0.78 SERPINE1 (0.44) LMNAMAPTSMN1; SMN2HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP disclosed
CN-101123959-A Aryl, heteroaryl and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions thereof for the treatment of human diseases RENOVIS INC (US) 2008-02-13 CN disclosed
US-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2007-11-29 US disclosed
EP-1660011-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS Renovis, Inc. (US) 2006-05-31 EP disclosed
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2005-03-17 US disclosed
WO-2005016272-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS, INC. (US) 2005-02-24 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 (3 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-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT LMNA 2903/4885MAPT 850/4885SMN1; SMN2 155/4885
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT LMNA 2903/4885MAPT 850/4885SMN1; SMN2 155/4885
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 LMNA 3529/4885MAPT 3216/4885SMN1; SMN2 4050/4885

“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.