SCHEMBL5843017

SCHEMBL5843017

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
L3MBTL1 Q9Y468 3/20 0.70
CRHBP P24387 2/20 0.70
CRHR2 Q13324 2/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
ATM Q13315 1/20 0.70
TLR9 Q9NR96 1/20 0.70
LMNA P02545 2/20 0.52
MAPT P10636 4/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 2/20 0.50
NPC1 O15118 1/20 0.50
TNNI3 P19429 1/20 0.50
TNNT2 P45379 1/20 0.50
TNNC1 P63316 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
S1PR4 O95977 1/20 0.49

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
SCHEMBL28468333 0.86 ACHE (0.64) ALDH1A1L3MBTL1CRHBPCRHR2MEN1
SCHEMBL1468921 0.85 CYP1A2 (0.56) ALDH1A1L3MBTL1CRHBPCRHR2MEN1
SCHEMBL27877152 0.83 POLB (0.53) ALDH1A1L3MBTL1CRHBPCRHR2MEN1
SCHEMBL1039452 0.83 ALDH1A1 (1.00) ALDH1A1L3MBTL1CRHBPCRHR2MEN1
SCHEMBL17817838 0.83 ALDH1A1 (1.00) ALDH1A1L3MBTL1CRHBPCRHR2MEN1
SCHEMBL3853529 0.83 ALDH1A1 (1.00) ALDH1A1L3MBTL1CRHBPCRHR2MEN1
SCHEMBL5842100 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1CRHBPCRHR2MEN1
SCHEMBL5843018 0.81 CRHBP (0.64) ALDH1A1L3MBTL1CRHBPCRHR2MEN1
SCHEMBL27732618 0.81 ALDH1A1 (0.96) ALDH1A1L3MBTL1CRHBPCRHR2MEN1
SCHEMBL7149333 0.80 NR3C2 (0.60) ALDH1A1L3MBTL1CRHBPCRHR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111732516-B A kind ofNProcess for preparing (E) -aryl-substituted heterocyclic compounds 南昌大学 2021-01-05 CN disclosed
CN-111732516-A A kind ofNProcess for preparing (E) -aryl-substituted heterocyclic compounds 南昌大学 2020-10-02 CN disclosed
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
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO 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 3034/4885L3MBTL1 3047/4885CRHBP 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.