SCHEMBL4810294

SCHEMBL4810294

CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.61
CRHR2 Q13324 2/20 0.61
PYCR1 P32322 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
SIGMAR1 Q99720 3/20 0.50
TMEM97 Q5BJF2 2/20 0.50
TSHR P16473 1/20 0.50
KCNH2 Q12809 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FAAH O00519 1/20 0.48
MGLL Q99685 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL19760403 0.88 CRHBP (0.55) CRHBPCRHR2PYCR1ALDH1A1LMNA
SCHEMBL2479710 0.85 TSHR (0.54) CRHBPCRHR2PYCR1CYP1A2CYP2C19
SCHEMBL8790300 0.83 CRHBP (0.51) CRHBPCRHR2PYCR1CYP1A2CYP2C19
SCHEMBL7598909 0.83 CRHBP (0.58) CRHBPCRHR2ALDH1A1LMNASIGMAR1
SCHEMBL4901176 0.82 CRHBP (0.50) CRHBPCRHR2PYCR1ALDH1A1LMNA
SCHEMBL11542075 0.81 CRHBP (0.68) CRHBPCRHR2PYCR1CYP1A2CYP2C19
SCHEMBL5673159 0.81 CRHBP (0.53) CRHBPCRHR2PYCR1CYP2C19ALDH1A1
SCHEMBL3152617 0.81 PYCR1 (0.59) CRHBPCRHR2PYCR1CYP1A2CYP2C19
SCHEMBL3153458 0.81 CRHBP (0.64) CRHBPCRHR2PYCR1CYP2C19ALDH1A1
SCHEMBL3156438 0.80 NR1D1 (0.52) CRHBPCRHR2PYCR1ALDH1A1LMNA

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
CN-117304183-A Five-membered and six-membered nitrogen-containing compound, intermediate thereof, preparation method and application 杭州圣域生物医药科技有限公司 2023-12-29 CN disclosed
CN-113166102-A Anticancer compounds 法马马有限公司 2021-07-23 CN disclosed
EP-2284166-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 CRHBP 4376/4885CRHR2 2856/4885PYCR1 1317/4885

“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.