SCHEMBL458515

SCHEMBL458515

c1ccc2c(c1)CNc1c-2ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2A6 P11509 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
DNMT1 P26358 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
ACHE P22303 2/20 0.36
HPRT1 P00492 1/20 0.35
CYP1A2 P05177 2/20 0.34
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33

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
SCHEMBL4421747 0.79 ALDH1A1 (0.46) CA12CA9ALDH1A1HSD17B10CYP2A6
SCHEMBL17108092 0.74 CA12 (0.43) CA12CA9PARP1ALDH1A1HSD17B10
SCHEMBL1745002 0.70 GABRA1 (0.39) CA12CA9NISCHCYP1A2HTT
SCHEMBL9707362 0.70 HPRT1 (0.54) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL21219119 0.70 TSHR (0.57) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Benzo(A)Fluorene SCHEMBL29413802 0.68 CA1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Benzo(A)Fluorene SCHEMBL29432662 0.68 CA1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Benzo(A)Fluorene SCHEMBL29620372 0.68 CA1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Benzo(A)Fluorene SCHEMBL150250 0.68 CA1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Benzo(A)Fluorene SCHEMBL27981434 0.67 CA1 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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-8741917-B2 Benzo [C] phenanthridines as antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-06-03 US disclosed
US-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUGTERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-26 US disclosed
EP-2387564-A1 BENZO ÝC¨PHENANTHRIDINES AS ANTIMICROBIAL AGENTS Rutgers, The State University of New Jersey (US) 2011-11-23 EP disclosed
US-8037884-B2 Modular system for patient positioning during medical procedures ALLEN MEDICAL SYSTEMS, INC. (US) 2011-10-18 US disclosed
US-20090134785-A1 ORGANOMETALLIC COMPLEX, ORGANIC LIGHT-EMITTING ELEMENT USING SAME, AND DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2009-05-28 US disclosed
US-20090134785-A1 ORGANOMETALLIC COMPLEX, ORGANIC LIGHT-EMITTING ELEMENT USING SAME, AND DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2009-05-28 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-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS CCNT1, XPO4, XDH CA12 2824/4885CA9 3780/4885PARP1 1409/4885
US-20090134785-A1 ORGANOMETALLIC COMPLEX, ORGANIC LIGHT-EMITTING ELEMENT USING SAME, AND DISPLAY DEVICE MNS1, NOM1, AP3M1 CA12 2219/4885CA9 1801/4885PARP1 1809/4885

“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.