SCHEMBL10061526

SCHEMBL10061526

CN1CCC(N(C)c2cccc([N+](=O)[O-])c2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
NOS3 P29474 3/20 0.43
NOS1 P29475 3/20 0.43
NOS2 P35228 3/20 0.43
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
MCL1 Q07820 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL10061527 0.81 KMT2A (0.50) KMT2ANOS3NOS1NOS2LMNA
SCHEMBL5806358 0.76 TDP1 (0.44) LMNAALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL31215851 0.75 MAPK1 (0.48) KMT2ALMNAALDH1A1MAPTNPSR1
SCHEMBL11487423 0.74 ALDH1A1 (0.40) KMT2ALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL5238363 0.72 MAPT (0.48) KMT2ALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL11630132 0.71 TDP1 (0.40) KMT2ALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL2748535 0.70 STAT3 (0.50) KMT2ANOS3NOS1NOS2LMNA
SCHEMBL11493814 0.70 ALDH3A1 (0.44) KMT2ALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL30936695 0.69 LMNA (0.49) KMT2ALMNAALDH1A1MAPTPOLB
SCHEMBL618153 0.69 TDP1 (0.54) KMT2AALDH1A1SMN1; SMN2RAB9A

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 KMT2A 2782/4885NOS3 1528/4885NOS1 793/4885

“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.