SCHEMBL6668604

SCHEMBL6668604

O=C(NCc1ccc(Cl)cc1)c1cn(C2CCS(=O)(=O)CC2)c2ccc(CN3CCOCC3)cc2c1=O

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.55
POLA1 P09884 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
F2 P00734 1/20 0.51
TP53 P04637 1/20 0.44
ENPP2 Q13822 1/20 0.43
MAPT P10636 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL6699609 0.94 KCNH2 (0.59) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6693534 0.93 KCNH2 (0.59) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6697662 0.91 KCNH2 (0.59) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6671050 0.90 KCNH2 (0.56) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6699690 0.82 MEN1 (0.73) KCNH2POLA1MEN1KMT2AF2
SCHEMBL30372497 0.82 MEN1 (0.73) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6694408 0.81 KCNH2 (0.61) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6709492 0.81 KCNH2 (0.61) KCNH2POLA1MEN1KMT2AF2
SCHEMBL7937657 0.80 ALDH1A1 (0.43) MEN1KMT2AMAPTALDH1A1
SCHEMBL6703046 0.80 KCNH2 (0.61) 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 6 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
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US claimed
US-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-23 US disclosed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 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-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, NR1H3, NR1H2 KCNH2 4383/4885POLA1 2550/4885MEN1 3030/4885

“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.