SCHEMBL3909349

SCHEMBL3909349

O=C(Cl)Nc1cccc2cccnc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.67
POLB P06746 2/20 0.67
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
CASP3 P42574 1/20 0.66
SENP8 Q96LD8 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
KDR P35968 4/20 0.65
L3MBTL1 Q9Y468 2/20 0.64
GAA P10253 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.63
MAPT P10636 2/20 0.63
KDM4E B2RXH2 2/20 0.61
HDAC6 Q9UBN7 1/20 0.61
RECQL P46063 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
HTT P42858 3/20 0.60
ALDH1A1 P00352 2/20 0.59
TSHR P16473 1/20 0.59

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
SCHEMBL29851236 0.84 KDR (0.71) TDP1POLBMEN1KMT2ACASP3
SCHEMBL1695444 0.84 KDR (0.71) TDP1POLBMEN1KMT2ACASP3
SCHEMBL5053488 0.83 TDP1 (0.71) TDP1POLBMEN1KMT2ACASP3
SCHEMBL14851783 0.83 TDP1 (0.69) TDP1POLBMEN1KMT2ACASP3
SCHEMBL1753903 0.83 TDP1 (0.79) TDP1POLBMEN1KMT2ACASP3
SCHEMBL27599095 0.83 TDP1 (0.67) TDP1POLBMEN1KMT2ACASP3
SCHEMBL3549883 0.83 CYP1A2 (0.71) TDP1POLBMEN1KMT2ACASP3
SCHEMBL29918706 0.83 TDP1 (0.71) TDP1POLBMEN1KMT2ACASP3
SCHEMBL4404120 0.82 KDR (0.73) TDP1POLBMEN1KMT2ACASP3
SCHEMBL31565261 0.82 KDR (0.73) TDP1POLBMEN1KMT2ACASP3

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
EP-1501846-B1 TRICYCLIC MACROLIDE ANTIBACTERIAL COMPOUNDS ABBOTT LAB (US) 2009-03-18 EP disclosed
US-6992069-B2 Tricyclic macrolide antibacterial compounds ABBVIE INC. 2006-01-31 US disclosed
EP-1501846-A1 TRICYCLIC MACROLIDE ANTIBACTERIAL COMPOUNDS Abbott Laboratories (US) 2005-02-02 EP disclosed
US-20040029818-A1 Tricyclic macrolide antibacterial compounds ABBVIE INC. 2004-02-12 US disclosed
WO-2003093289-A1 TRICYCLIC MACROLIDE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 2003-11-13 WO disclosed
US-4530931-A 8-Quinoline carbanilates for the inhibition of lipolysis USV PHARMACEUTICAL CORP. (US) 1985-07-23 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 (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-20040029818-A1 Tricyclic macrolide antibacterial compounds RPN1, CASP1, MRPL21 TDP1 399/4885POLB 931/4885MEN1 1749/4885

“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.