SCHEMBL5886374

SCHEMBL5886374

CNS(=O)(=O)c1cccc2c1ccc1nc3cccc(C(=O)O)c3nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
EDNRA P25101 1/20 0.43
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FTO Q9C0B1 1/20 0.40
CYP1A2 P05177 2/20 0.39
HTT P42858 1/20 0.38
PFKFB3 Q16875 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
RAD52 P43351 1/20 0.37
FABP4 P15090 1/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL5886349 0.86 ALDH1A1 (0.54) ALDH1A1EDNRAATML3MBTL1RAD52
SCHEMBL5886278 0.84 ALDH1A1 (0.54) ALDH1A1ATML3MBTL1FTOCYP1A2
SCHEMBL5886314 0.84 ALDH1A1 (0.54) ALDH1A1EDNRAATML3MBTL1CA1
SCHEMBL5886265 0.83 ALDH1A1 (0.50) ALDH1A1EDNRAATML3MBTL1RAD52
SCHEMBL5886274 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1RAD52CYP2C9CYP2C19
SCHEMBL5886249 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2HTTRAD52MAPT
SCHEMBL5886308 0.79 ALDH1A1 (0.54) ALDH1A1ATML3MBTL1RAD52MAPT
SCHEMBL5886384 0.78 ALDH1A1 (0.50) ALDH1A1ATML3MBTL1CYP1A2HTT
SCHEMBL5886240 0.78 ALDH1A1 (0.59) ALDH1A1L3MBTL1CYP1A2CA1CA2
SCHEMBL5886331 0.77 ALDH1A1 (0.58) ALDH1A1HTTMAPTTSHR

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 8 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
EP-1240148-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II Xenova Limited (GB) 2002-09-18 EP claimed
WO-2001046157-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II XENOVA LIMITED (GB) 2001-06-28 WO 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 3766/4885EDNRA 221/4885ATM 3904/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B ALDH1A1 2334/4885EDNRA 1904/4885ATM 3220/4885

“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.