SCHEMBL10061538

SCHEMBL10061538

NCCc1cc(N2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.61
PKM P14618 1/20 0.61
ALDH1A1 P00352 9/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
MAPK1 P28482 3/20 0.55
LMNA P02545 4/20 0.53
HPGD P15428 1/20 0.53
CYP2C9 P11712 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 1/20 0.48

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
SCHEMBL15340797 0.85 MAPT (0.66) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL5054712 0.84 MAPT (0.68) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL10061540 0.81 MAPT (0.60) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL17919917 0.81 MAPT (0.60) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL18036523 0.80 MAPT (0.75) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL2589998 0.79 MAPT (0.69) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL2445796 0.79 LMNA (0.75) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL4140342 0.77 MAPT (0.67) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL10061539 0.77 LGMN (0.59) MAPTPKMALDH1A1SMN1; SMN2MAPK1
SCHEMBL22652006 0.76 MAPT (0.69) MAPTPKMALDH1A1SMN1; SMN2NPSR1

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 2 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-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US 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 MAPT 4348/4885PKM 1535/4885ALDH1A1 450/4885

“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.