SCHEMBL17975321

SCHEMBL17975321

Cc1ccc(/C=C/c2ccc([N+](=O)[O-])o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ ATM Q13315 1/20 0.59
▸ KMT2A Q03164 7/20 0.54
▸ POLB P06746 5/20 0.54
▸ TDP1 Q9NUW8 4/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ MAPT P10636 9/20 0.52
▸ HTT P42858 7/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ MEN1 O00255 6/20 0.51
▸ LMNA P02545 6/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MITF O75030 3/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ FBP1 P09467 1/20 0.50
▸ TLR9 Q9NR96 1/20 0.49
▸ GLO1 Q04760 1/20 0.49

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
SCHEMBL17988268 0.85 KMT2A (0.55) NPC1RAB9AKMT2APOLBTDP1
SCHEMBL13236077 0.84 KMT2A (0.54) NPC1RAB9AATMKMT2APOLB
SCHEMBL8370191 0.80 KMT2A (0.61) NPC1RAB9AATMKMT2APOLB
SCHEMBL8370192 0.80 KMT2A (0.61) NPC1RAB9AATMKMT2APOLB
SCHEMBL12039474 0.79 RAB9A (0.50) NPC1RAB9AKMT2APOLBTDP1
SCHEMBL11873955 0.79 KMT2A (0.56) NPC1RAB9AATMKMT2APOLB
SCHEMBL11873948 0.79 KMT2A (0.56) NPC1RAB9AATMKMT2APOLB
SCHEMBL11843258 0.79 KMT2A (0.56) NPC1RAB9AATMKMT2APOLB
SCHEMBL15201189 0.79 MAPT (0.57) NPC1RAB9AATMKMT2APOLB
SCHEMBL15201190 0.79 MAPT (0.57) NPC1RAB9AATMKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160374997-A1 ANTIBIOTIC COMPOUNDS THAT INHIBIT BACTERIAL PROTEIN SYNTHESIS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2016-12-29 — — US disclosed
US-20160220510-A1 ANTIBIOTIC COMPOUNDS THAT INHIBIT BACTERIAL PROTEIN SYNTHESIS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2016-08-04 — — 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-20160374997-A1 ANTIBIOTIC COMPOUNDS THAT INHIBIT BACTERIAL PROTEIN SYNTHESIS AARS1, EPRS1, EEF1G NPC1 4142/4885RAB9A 1810/4885ATM 1896/4885
US-20160220510-A1 ANTIBIOTIC COMPOUNDS THAT INHIBIT BACTERIAL PROTEIN SYNTHESIS AARS1, EPRS1, EEF1G NPC1 4142/4885RAB9A 1810/4885ATM 1896/4885

“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.

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