SCHEMBL14217255

SCHEMBL14217255

CC1CCCN(c2ccc([N+](=O)[O-])c(N)c2C#N)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.51
ALDH1A1 P00352 12/20 0.51
TDP1 Q9NUW8 3/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
CSF1R P07333 1/20 0.42
CDK8 P49336 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9899987 0.84 LMNA (0.43) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL14217253 0.82 KDM4E (0.53) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL7061229 0.74 MAPT (0.63) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL23884754 0.71 ALDH1A1 (0.60) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL25168018 0.71 ALDH1A1 (0.60) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL25442202 0.71 MAPT (0.56) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL3119292 0.70 KDM4E (0.52) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL12517567 0.68 ALDH1A1 (0.52) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL5234062 0.68 JAK3 (0.43) MAPTALDH1A1KMT2AHTTGAA
SCHEMBL30868315 0.67 KMT2A (0.58) MAPTALDH1A1TDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822498-B2 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES MAPT 4308/4885ALDH1A1 140/4885TDP1 1871/4885

“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.