SCHEMBL17618302

SCHEMBL17618302

c1ccc(CN2Cc3cccc4cccc(c34)C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
SIGMAR1 Q99720 4/20 0.47
HRH1 P35367 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
DRD2 P14416 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.41
PARP1 P09874 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
TRPV6 Q9H1D0 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
SCHEMBL13907379 0.75 SIGMAR1 (0.48) KMT2ACYP1A2CYP2C19SIGMAR1ALDH1A1
SCHEMBL1331974 0.74 CYP1A2 (0.71) KMT2ACYP1A2CYP2C19SIGMAR1HRH1
SCHEMBL30141847 0.74 CYP1A2 (0.71) KMT2ACYP1A2CYP2C19SIGMAR1HRH1
SCHEMBL1333260 0.74 CYP1A2 (0.71) KMT2ACYP1A2CYP2C19SIGMAR1HRH1
SCHEMBL20804356 0.74 CYP1A2 (0.71) KMT2ACYP1A2CYP2C19SIGMAR1HRH1
SCHEMBL29992091 0.74 CYP1A2 (0.71) KMT2ACYP1A2CYP2C19SIGMAR1HRH1
SCHEMBL17618299 0.73 HRH4 (0.40) KMT2ASIGMAR1DRD2KCNH2MEN1
SCHEMBL17618295 0.72 CYP19A1 (0.42) SIGMAR1HRH1KDM4E
SCHEMBL17618298 0.71 SIGMAR1 (0.43) KMT2ASIGMAR1ALDH1A1DRD2KCNH2
SCHEMBL9870821 0.71 DDB1 (0.57) KMT2ACYP1A2CYP2C19SIGMAR1ALDH1A1

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
US-20200131334-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2020-04-30 US disclosed
US-10316167-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PLASTIPAK PACKAGING (US) 2019-06-11 US disclosed
US-20160083558-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING, INC. (US) 2016-03-24 US disclosed
US-20160083558-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING, INC. (US) 2016-03-24 US disclosed
WO-2016044722-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING, INC. (US) 2016-03-24 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 (3 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-20160083558-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PRDX5, LPO, CAT KMT2A 4762/4885CYP1A2 973/4885CYP2C19 2151/4885
US-10316167-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PRDX5, LPO, CAT KMT2A 4762/4885CYP1A2 973/4885CYP2C19 2151/4885
US-20200131334-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PRDX5, LPO, CAT KMT2A 4762/4885CYP1A2 973/4885CYP2C19 2151/4885

“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.