SCHEMBL6399230

SCHEMBL6399230

O=C(CN1C[CH]C1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
KMT2A Q03164 4/20 0.50
MAPK1 P28482 3/20 0.50
MAPT P10636 3/20 0.50
CYP3A4 P08684 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
CES1 P23141 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.50
GRIN2B Q13224 3/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
GSK3B P49841 3/20 0.47
GSK3A P49840 1/20 0.47

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
SCHEMBL6398248 0.85 ALDH1A1 (0.57) ALDH1A1KMT2AMAPK1MAPTCYP3A4
SCHEMBL4875267 0.83 ALDH1A1 (0.79) ALDH1A1KMT2AMAPK1MAPTCYP3A4
SCHEMBL11026303 0.81 ALDH1A1 (0.65) ALDH1A1KMT2AMAPK1MAPTCYP3A4
SCHEMBL9381303 0.80 ALDH1A1 (0.69) ALDH1A1KMT2AMAPK1MAPTCYP3A4
SCHEMBL30546565 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AMAPK1MAPTCYP3A4
SCHEMBL21044195 0.78 ALDH1A1 (0.72) ALDH1A1KMT2AMAPK1MAPTCYP3A4
SCHEMBL15164429 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AMAPK1MAPTCYP3A4
SCHEMBL3928222 0.78 ALDH1A1 (0.69) ALDH1A1KMT2AMAPK1MAPTCYP3A4
Hydrochloric Acid SCHEMBL9851658 0.77 ALDH1A1 (0.70) ALDH1A1KMT2AMAPK1MAPTCYP3A4
SCHEMBL6399748 0.77 ALDH1A1 (0.56) ALDH1A1KMT2AMAPK1MAPTCYP3A4

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
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
US-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 US disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 ALDH1A1 1862/4885KMT2A 2222/4885MAPK1 2509/4885

“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.