SCHEMBL1387486

SCHEMBL1387486

CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.74
ALDH1A1 P00352 9/20 0.74
HTT P42858 2/20 0.74
SMN1; SMN2 Q16637 3/20 0.71
LMNA P02545 3/20 0.71
TP53 P04637 1/20 0.70
POLB P06746 3/20 0.68
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
L3MBTL1 Q9Y468 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
AKR1C3 P42330 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
SIRT6 Q8N6T7 1/20 0.60

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
SCHEMBL13181103 0.89 MAPT (0.70) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL8932385 0.85 MAPT (0.69) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL13153237 0.85 MAPT (0.68) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL29057437 0.83 MAPT (0.68) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL2074819 0.83 MAPT (0.68) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL27783156 0.83 AKR1C3 (0.85) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL6506583 0.82 MAPT (0.66) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL7838695 0.82 PKM (0.64) ALDH1A1HTTSMN1; SMN2LMNAPOLB
Ammonia Solution, Strong SCHEMBL27607455 0.82 MAPT (0.66) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL31406888 0.82 MAPT (0.64) MAPTALDH1A1HTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H09505072-A 1997-05-20 JP claimed
EP-0729455-A1 INDOLE-DERIVED AZYLPIPERAZINES AS LIGANDS FOR 5HT1-LIKE RECEPTORS 5HT1B AND 5HT1D PIERRE FABRE MEDICAMENT (FR) 1996-09-04 EP claimed
WO-1995014004-A1 INDOLE-DERIVED AZYLPIPERAZINES AS LIGANDS FOR 5HT1-LIKE RECEPTORS 5HT1B AND 5HT1D PIERRE FABRE MEDICAMENT (FR) 1995-05-26 WO claimed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 CN 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-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 MAPT 4456/4885ALDH1A1 2036/4885HTT 4790/4885

“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.