SCHEMBL5886331

SCHEMBL5886331

O=C(O)c1cccc2nc3ccc4c(Cl)cccc4c3nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 1/20 0.44
HAVCR2 Q8TDQ0 1/20 0.43
CSNK2B P67870 2/20 0.41
CSNK2A2 P19784 1/20 0.41
PIM1 P11309 1/20 0.40
CSNK2A1 P68400 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
CLK1 P49759 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39

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
SCHEMBL7572097 0.85 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1TSHRHAVCR2
SCHEMBL5886240 0.84 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1NR4A1NR4A2
SCHEMBL5886397 0.83 ALDH1A1 (0.58) ALDH1A1NR4A1NR4A2NR4A3KDM4E
SCHEMBL5886268 0.83 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1NR4A1NR4A2
SCHEMBL5886290 0.83 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1TSHRHAVCR2
SCHEMBL5886249 0.83 ALDH1A1 (0.58) ALDH1A1NR4A1NR4A2NR4A3MAPT
SCHEMBL5886314 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1CSNK2BCSNK2A2
SCHEMBL5886475 0.82 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1NR4A1NR4A2
SCHEMBL5886390 0.81 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1NR4A1NR4A2
SCHEMBL7568127 0.80 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1TSHRHAVCR2

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-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 US claimed
US-20050143383-A1 Pharmaceutical compounds XENOVA LIMITED (GB) 2005-06-30 US claimed
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II XENOVA LIMITED (GB) 2003-07-24 US claimed
US-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 US disclosed
US-20050143383-A1 Pharmaceutical compounds XENOVA LIMITED (GB) 2005-06-30 US disclosed
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II XENOVA LIMITED (GB) 2003-07-24 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-20050143383-A1 Pharmaceutical compounds CHRNA10, OPRM1, SCN10A ALDH1A1 3766/4885KMT2A 3473/4885MEN1 2842/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B ALDH1A1 2334/4885KMT2A 2184/4885MEN1 4285/4885

“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.