SCHEMBL5886326

SCHEMBL5886326

CSc1cccc2c1CCCC2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRB3 P13945 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A4 P31645 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
PARP1 P09874 1/20 0.38
BRD4 O60885 8/20 0.38
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
TYMS P04818 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 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
SCHEMBL11489292 0.89 ALDH1A1 (0.40) CYP2A6MAOAMAOBHTR1APARP1
SCHEMBL1151194 0.77 PARP1 (0.55) CYP2A6MAOAMAOBADRB2ADRB1
SCHEMBL5540741 0.77 MAOA (0.50) CYP2A6MAOAMAOBADRB2ADRB1
SCHEMBL29501042 0.77 PARP1 (0.55) CYP2A6MAOAMAOBADRB2ADRB1
SCHEMBL31318409 0.74 L3MBTL1 (0.48) CYP2A6MAOAMAOBTSHRMRGPRX4
SCHEMBL5752790 0.73 PARP1 (0.55) CYP2A6MAOAMAOBADRB2ADRB1
SCHEMBL1150394 0.73 ALDH1A1 (0.49) CYP2A6MAOAMAOBADRB2ADRB1
SCHEMBL1661783 0.72 PARP10 (0.53) CYP2A6MAOAMAOBADRB2ADRB1
SCHEMBL1151120 0.72 CYP2A6 (0.48) CYP2A6MAOAMAOBADRB2ADRB1
SCHEMBL22479791 0.72 MAOA (0.48) CYP2A6MAOAMAOBADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CYP2A6 127/4885MAOA 1921/4885MAOB 1237/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B CYP2A6 34/4885MAOA 1105/4885MAOB 1231/4885

“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.