SCHEMBL3375069

SCHEMBL3375069

O=C(OCc1ccccc1)n1ccc2c(O)cccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.47
▸ P2RX4 Q99571 2/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ P2RX1 P51575 1/20 0.42
▸ P2RX3 P56373 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ RCOR1 Q9UKL0 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41

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
SCHEMBL13309267 0.85 NPC1 (0.48) TDP1P2RX4KMT2AMEN1NPSR1
SCHEMBL4231904 0.84 TACR3 (0.46) TDP1P2RX4KMT2AMEN1NPSR1
SCHEMBL4232805 0.83 TACR3 (0.43) TDP1P2RX4KMT2AMEN1NPSR1
SCHEMBL4235703 0.83 P2RX4 (0.40) TDP1P2RX4KMT2AMEN1NPSR1
SCHEMBL29015481 0.83 HTR6 (0.46) HTR6KMT2AMEN1ALDH1A1LMNA
SCHEMBL2118407 0.82 CA12 (0.49) HTR6ALDH1A1LMNANPC1RAB9A
SCHEMBL30772188 0.82 KMT2A (0.41) TDP1P2RX4KMT2AMEN1NPSR1
SCHEMBL20696078 0.81 CA12 (0.47) HTR6ALDH1A1LMNANPC1RAB9A
SCHEMBL4239275 0.80 TACR3 (0.41) TDP1P2RX4KMT2AMEN1NPSR1
SCHEMBL7162130 0.80 L3MBTL1 (0.53) TDP1P2RX4KMT2AMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757585-B1 Anionically substituted 7-Nitroindoline derivatives and their uses MEDICAL RES COUNCIL (GB) 2010-12-01 — — EP disclosed
US-7737169-B2 Anionically substituted 7-nitroindoline derivatives and their uses MEDICAL RESEARCH COUNCIL (GB) 2010-06-15 — — US disclosed
US-20070203099-A1 Anionically substituted 7-nitroindoline derivatives and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2007-08-30 — — US disclosed
EP-1757585-A1 Anionically substituted 7-Nitroindoline derivatives and their uses Medical Research Council (GB) 2007-02-28 — — EP 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-20070203099-A1 Anionically substituted 7-nitroindoline derivatives and their uses SLC18A3, SLC18A1, SLC18A2 TDP1 1033/4885P2RX4 656/4885HTR6 102/4885

“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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