SCHEMBL6706372

SCHEMBL6706372

O=C(NCc1ccc(Cl)cc1)c1cn2c(CCN3CCCCC3)cc3cc(CN4CCOCC4)cc(c1=O)c32

nearest known ligand 0.94

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.94
KCNH2 Q12809 7/20 0.83
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
F2 P00734 1/20 0.44
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL6706716 0.97 POLA1 (1.00) POLA1KCNH2MEN1KMT2AF2
SCHEMBL6706361 0.94 POLA1 (0.94) POLA1KCNH2MEN1KMT2AF2
SCHEMBL6706701 0.93 POLA1 (0.93) POLA1KCNH2MEN1KMT2AF2
SCHEMBL6709105 0.93 POLA1 (0.91) POLA1KCNH2MEN1KMT2AF2
SCHEMBL6708202 0.92 POLA1 (0.91) POLA1KCNH2MEN1KMT2AF2
SCHEMBL6680887 0.92 POLA1 (0.90) POLA1KCNH2MEN1KMT2AF2
SCHEMBL6708300 0.91 POLA1 (0.88) POLA1KCNH2MEN1KMT2AF2
SCHEMBL6672185 0.91 KCNH2 (0.91) POLA1KCNH2MEN1KMT2AF2
SCHEMBL30419552 0.91 KCNH2 (1.00) POLA1KCNH2MEN1KMT2AF2
SCHEMBL6666985 0.91 KCNH2 (1.00) POLA1KCNH2MEN1KMT2AF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102473-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W (US) 2004-05-27 US claimed
US-20030153561-A1 Pyrroloquinolones as antiviral agents VAILLANCOURT VALERIE A (US) 2003-08-14 US claimed
US-6525049-B2 Such as N-(4-chlorobenzyl)-2-(hydroxymethyl)-6-oxo-6H-pyrrolo (3,2,1-ij)quinoline-5-carboxamide for treatment of herpes PHARMACIA & UPJOHN COMPANY 2003-02-25 US claimed
US-20020055636-A1 Pyrroloquinolones as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-05-09 US claimed
US-20040102473-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W (US) 2004-05-27 US disclosed
US-6683181-B2 MIXING POLYSTYRENE-TOSYL CHLORIDE RESIN WITH C2-12ALKYNOL; REACTING WITH AMINE TO MAKE CHEMICAL INTERMEDIATE; HERPES VIRUS TREATMENT PHARMACIA AND UPJOHN COMAPNY 2004-01-27 US disclosed
US-20030153561-A1 Pyrroloquinolones as antiviral agents VAILLANCOURT VALERIE A (US) 2003-08-14 US disclosed
EP-1299386-A1 PYRROLOQUINOLONES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
US-6525049-B2 Such as N-(4-chlorobenzyl)-2-(hydroxymethyl)-6-oxo-6H-pyrrolo (3,2,1-ij)quinoline-5-carboxamide for treatment of herpes PHARMACIA & UPJOHN COMPANY 2003-02-25 US disclosed
US-20020055636-A1 Pyrroloquinolones as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-05-09 US disclosed
WO-2002002558-A1 PYRROLOQUINOLONES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-10 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-20030153561-A1 Pyrroloquinolones as antiviral agents ZC3HAV1, ZC3HAV1L, IRF3 POLA1 18/4885KCNH2 1395/4885MEN1 3069/4885
US-20020055636-A1 Pyrroloquinolones as antiviral agents ZC3HAV1, ZC3HAV1L, IRF3 POLA1 18/4885KCNH2 1395/4885MEN1 3069/4885
US-20040102473-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, MSR1, TGFB1 POLA1 2852/4885KCNH2 4238/4885MEN1 2254/4885

“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.