SCHEMBL6704232

SCHEMBL6704232

O=C(NCc1ccc(Cl)cc1)c1cn(-c2ccc(Cl)cc2)c2ccc(CN3CCOCC3)cc2c1=O.O=C(NCc1ccc(Cl)cc1)c1cn(-c2cccc(I)c2)c2ccc(CN3CCOCC3)cc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.54
POLA1 P09884 2/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
F2 P00734 1/20 0.49
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
ENPP2 Q13822 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6710904 0.98 KCNH2 (0.55) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6709492 0.92 KCNH2 (0.61) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6697784 0.91 KCNH2 (0.59) KCNH2POLA1MEN1KMT2AF2
SCHEMBL7600079 0.90 KCNH2 (0.48) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6698795 0.90 KCNH2 (0.56) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6699871 0.90 KCNH2 (0.60) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6698032 0.89 KCNH2 (0.56) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6699095 0.88 KCNH2 (0.57) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6700186 0.88 KCNH2 (0.58) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6703075 0.88 KCNH2 (0.55) KCNH2POLA1MEN1KMT2AF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-23 US claimed
US-6653307-B2 Such as N-(4-chlorobenzyl)-6-(4-morpholinylmethyl)-4-oxo-1-phenyl-1,4-dihydro-3-quinolinecarboxamide for treatment of herpes virus; viral DNA polymerase inhibitors PHARMACIA & UPJOHN COMPANY 2003-11-25 US claimed
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-08-01 US claimed
US-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-23 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 (2 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-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, NR1H3, NR1H2 KCNH2 4383/4885POLA1 2550/4885MEN1 3030/4885
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, IRF3, ZC3HAV1L KCNH2 683/4885POLA1 69/4885MEN1 3558/4885

“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.