SCHEMBL3842952

SCHEMBL3842952

O=C1c2ccccc2C(=O)N1c1ccc(C2CC2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.59
NFKB1 P19838 1/20 0.59
PMP22 Q01453 1/20 0.59
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
CASP6 P55212 1/20 0.47
GRM4 Q14833 3/20 0.45
GRM1 Q13255 9/20 0.43
PGR P06401 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL7584614 0.77 CYP3A4 (0.70) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL3825244 0.76 CYP3A4 (0.68) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL3435311 0.74 CYP3A4 (0.66) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL6680554 0.74 MEN1 (0.71) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL31680519 0.74 CYP3A4 (1.00) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL1322530 0.74 CYP3A4 (1.00) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL2549717 0.73 MEN1 (0.73) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL21538459 0.72 ESR2 (0.36) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL9235862 0.71 SCN2A (0.68) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL11864526 0.70 CYP3A4 (0.59) CYP3A4NFKB1PMP22MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567477-B1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
EP-2090566-A2 Certain phenylacetic acids and derivatives Novartis AG (CH) 2009-08-19 EP disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 US disclosed
CN-1729157-A Substituted amino phenylacetic acids, derivatives thereof, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors NOVARTIS AG (CH) 2006-02-01 CN disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 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-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 CYP3A4 169/4885NFKB1 1947/4885PMP22 927/4885

“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.