SCHEMBL5886479

SCHEMBL5886479

CS(=O)(=O)c1cccc2c1CCCC2=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.44
CYP2A6 P11509 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
HTR1A P08908 1/20 0.40
TSHR P16473 1/20 0.40
SLC6A4 P31645 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.37
TYMS P04818 1/20 0.35

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
SCHEMBL28041457 0.77 MAOA (0.56) BRD4CYP2A6MAOAMAOBADRB2
SCHEMBL16555857 0.77 BCL2L1 (0.42) CYP2A6MAOAMAOBTSHR
SCHEMBL29501042 0.76 PARP1 (0.55) BRD4CYP2A6MAOAMAOBADRB2
SCHEMBL1151194 0.76 PARP1 (0.55) BRD4CYP2A6MAOAMAOBADRB2
SCHEMBL7102610 0.76 KEAP1 (0.47) CYP2A6MAOAMAOBADRB2ADRB1
SCHEMBL23815139 0.75 ALDH1A1 (0.32) MAOB
SCHEMBL14193725 0.75 ALDH1A1 (0.32) MAOB
SCHEMBL12251267 0.74 CYP2A6 (0.44) BRD4CYP2A6MAOAMAOBADRB2
SCHEMBL15461569 0.73 BCL2L1 (0.47) TSHR
SCHEMBL16745636 0.72 TYMS (0.39) TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1304380-C Benzo[a]henazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II XENOVA LTD (GB) 2007-03-14 CN disclosed
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
CN-1433406-A Benzo [ a ] phenazine-11-amide derivatives and their use as combined topoisomerase I and II inhibitors XENOVA LTD (GB) 2003-07-30 CN 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
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 disclosed
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 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 BRD4 1244/4885CYP2A6 127/4885MAOA 1921/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B BRD4 1260/4885CYP2A6 34/4885MAOA 1105/4885

“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.