SCHEMBL10132630

SCHEMBL10132630

COc1ccc(-c2c(OC)c(OC)cc3c([N+](=O)[O-])cccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.43
FBP1 P09467 1/20 0.42
HTR7 P34969 1/20 0.41
ABCB1 P08183 5/20 0.40
TUBB4A P04350 3/20 0.40
TUBB P07437 3/20 0.40
TUBA3C P0DPH7 3/20 0.40
TUBA1B P68363 3/20 0.40
TUBA4A P68366 3/20 0.40
TUBB4B P68371 3/20 0.40
TUBB3 Q13509 3/20 0.40
TUBB2A Q13885 3/20 0.40
TUBB8 Q3ZCM7 3/20 0.40
TUBA3E Q6PEY2 3/20 0.40
TUBA1A Q71U36 3/20 0.40

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
SCHEMBL10132579 0.90 ABCB1 (0.50) TDP1ALDH1A1FBP1ABCB1L3MBTL1
SCHEMBL424909 0.90 ALDH1A1 (0.49) TDP1ALDH1A1FBP1ABCB1TUBB4A
SCHEMBL10161844 0.88 ALDH1A1 (0.46) TDP1ALDH1A1ABCB1TUBB4ATUBB
SCHEMBL10132774 0.87 MAPT (0.42) TDP1ALDH1A1KMT2AABCB1TUBB4A
SCHEMBL12074714 0.87 ALDH1A1 (0.40) TDP1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10132749 0.84 TDP1 (0.42) TDP1ALDH1A1RAB9ASMN1; SMN2ABCB1
SCHEMBL10132807 0.84 ALDH1A1 (0.50) TDP1ALDH1A1KMT2AABCB1TUBB4A
SCHEMBL9989149 0.84 ABCB1 (0.41) TDP1ALDH1A1FBP1ABCB1TUBB4A
SCHEMBL10132794 0.82 TUBB4A (0.43) TDP1ALDH1A1RAB9ATUBB4ATUBB
SCHEMBL10132841 0.81 ABCB1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2ABCB1

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-8741917-B2 Benzo [C] phenanthridines as antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-06-03 US disclosed
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
US-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUGTERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-26 US disclosed
WO-2010083436-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-07-22 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 (1 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 TDP1 1005/4885ALDH1A1 3095/4885NPC1 2668/4885

“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.