SCHEMBL5841702

SCHEMBL5841702

CCCC(C(=O)O)N(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KMT2A Q03164 4/20 0.54
CRHBP P24387 3/20 0.54
CRHR2 Q13324 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MEN1 O00255 2/20 0.54
ATM Q13315 2/20 0.54
TLR9 Q9NR96 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 5/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL27599102 0.87 ALDH1A1 (0.49) ALDH1A1KMT2ACRHBPCRHR2L3MBTL1
SCHEMBL5842814 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AL3MBTL1SMN1; SMN2MAPT
SCHEMBL27543880 0.76 ALDH1A1 (0.48) ALDH1A1CRHBPCRHR2L3MBTL1ATM
SCHEMBL8996600 0.76 CRHBP (0.49) CRHBPCRHR2L3MBTL1MAPTGAA
SCHEMBL31147822 0.75 TSHR (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5841770 0.75 ALDH1A1 (0.65) ALDH1A1KMT2ACRHBPCRHR2L3MBTL1
SCHEMBL1527805 0.74 AKR1C3 (0.50) ALDH1A1KMT2AL3MBTL1MEN1MAPT
SCHEMBL8009839 0.72 ANPEP (0.50) ALDH1A1KMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL6136487 0.72 ALDH1A1 (0.50) ALDH1A1KMT2ACRHBPCRHR2L3MBTL1
SCHEMBL1039452 0.72 ALDH1A1 (1.00) ALDH1A1KMT2ACRHBPCRHR2L3MBTL1

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-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US claimed
US-7067549-B2 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2006-06-27 US disclosed
US-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 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-20050192292-A1 Pyrrolidone carboxamides NPY1R, NPY5R, NPY2R ALDH1A1 3034/4885KMT2A 3347/4885CRHBP 312/4885

“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.