SCHEMBL14504643

SCHEMBL14504643

CCN(C)C(=O)c1cc(-c2ccc(OCCO)cc2)n(-c2ccc(OC)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 5/20 0.54
CHRNA7 P36544 1/20 0.52
MDM2 Q00987 5/20 0.51
MCL1 Q07820 4/20 0.51
BCL2 P10415 3/20 0.51
MALT1 Q9UDY8 2/20 0.51
MARS1 P56192 1/20 0.50
PTGS2 P35354 3/20 0.47
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.47
FABP3 P05413 1/20 0.46
FABP4 P15090 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL3817516 0.92 CHRNA7 (0.53) RPA1CHRNA7MDM2MCL1BCL2
SCHEMBL14504646 0.89 MDM2 (0.45) RPA1CHRNA7MDM2MCL1BCL2
SCHEMBL14504637 0.89 RPA1 (0.53) RPA1CHRNA7MDM2MCL1BCL2
SCHEMBL14504647 0.89 RPA1 (0.55) RPA1CHRNA7MDM2MCL1BCL2
SCHEMBL14504706 0.88 CHRNA7 (0.49) RPA1CHRNA7MDM2MCL1BCL2
Methane SCHEMBL5147722 0.87 RPA1 (0.47) RPA1CHRNA7MDM2MCL1BCL2
SCHEMBL5147717 0.87 CHRNA7 (0.51) RPA1CHRNA7MDM2MCL1BCL2
SCHEMBL3821312 0.86 RPA1 (0.48) RPA1CHRNA7MDM2MCL1BCL2
SCHEMBL6207899 0.86 CHRNA7 (0.55) RPA1CHRNA7MDM2MCL1BCL2
SCHEMBL14504732 0.85 RPA1 (0.74) RPA1CHRNA7MDM2MCL1BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 RPA1 2143/4885CHRNA7 1626/4885MDM2 1492/4885

“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.