SCHEMBL10061539

SCHEMBL10061539

NCCc1cc(N2CCOCC2)ccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 4/20 0.59
AGXT P21549 1/20 0.46
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALOX15 P16050 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 2/20 0.43
HTT P42858 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL15692557 0.86 LGMN (0.58) LGMNAGXTMAPTSMN1; SMN2ALOX15
SCHEMBL11261557 0.84 LGMN (0.55) LGMNAGXTMAPTSMN1; SMN2ALOX15
SCHEMBL18051450 0.83 LGMN (0.61) LGMNAGXTMAPTSMN1; SMN2ALOX15
SCHEMBL13724622 0.82 LGMN (0.56) LGMNAGXTMAPTSMN1; SMN2ALOX15
SCHEMBL904452 0.78 LGMN (0.73) LGMNAGXTMAPTSMN1; SMN2ALOX15
SCHEMBL27641070 0.78 LGMN (0.58) LGMNAGXTMAPTSMN1; SMN2ALOX15
SCHEMBL10061538 0.77 MAPT (0.61) MAPTSMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL520439 0.77 LGMN (0.67) LGMNAGXTMAPTSMN1; SMN2ALOX15
SCHEMBL2187269 0.76 SLC13A5 (0.49) LGMNAGXTMAPTSMN1; SMN2ALOX15
SCHEMBL15334100 0.76 LGMN (0.49) LGMNAGXTMAPTSMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
WO-2008152014-A2 3-HETROCYCLYLIDENE-INDOLINONE DERIVATIVES AS INHIBITORS OF SPECIFIC CELL CYCLE KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 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-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 LGMN 4441/4885AGXT 745/4885MAPT 4348/4885

“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.