SCHEMBL3822381

SCHEMBL3822381

CN(C)C(=O)Cc1cc(Br)ccc1I

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.39
PCNA P12004 1/20 0.39
NCEH1 Q6PIU2 2/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
SETDB1 Q15047 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL30772157 0.81 POLB (0.46) POLBALDH1A1PCNANCEH1TSHR
SCHEMBL3823395 0.81 PCNA (0.43) ALDH1A1PCNALMNASETDB1
SCHEMBL3825070 0.80 RIPK1 (0.39) POLBPCNA
SCHEMBL3825211 0.80 POLQ (0.41) ALDH1A1PCNALMNAMEN1KMT2A
SCHEMBL2560222 0.79 PTGDR2 (0.44) ALDH1A1LMNAMEN1KMT2APTGDR2
SCHEMBL3822915 0.79 PCNA (0.41) POLBALDH1A1PCNALMNAMEN1
SCHEMBL30455348 0.78 POLB (0.46) POLBALDH1A1PCNANCEH1LMNA
SCHEMBL24802582 0.78 POLB (0.63) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL10411874 0.78 ALDH1A1 (0.47) POLBALDH1A1PCNA
SCHEMBL3826988 0.77 PTGDR2 (0.36) ALDH1A1MEN1KMT2ATSHRSETDB1

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 POLB 2164/4885ALDH1A1 99/4885PCNA 1748/4885

“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.