SCHEMBL3654723

SCHEMBL3654723

COc1ccc(OC)c(/N=N/c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ TLR9 Q9NR96 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ HTT P42858 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ PTGS2 P35354 2/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ APP P05067 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL3654726 1.00 KMT2A (0.54) KMT2AMEN1NPC1RAB9ATLR9
Nitrogen SCHEMBL4015127 0.97 KMT2A (0.52) KMT2AMEN1NPC1RAB9ATLR9
SCHEMBL7198643 0.89 KMT2A (0.54) KMT2AMEN1NPC1RAB9ATLR9
SCHEMBL3284432 0.83 MEN1 (0.72) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL13101803 0.83 MEN1 (0.72) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL3284435 0.83 MEN1 (0.72) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL14823076 0.83 MEN1 (0.50) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL13593604 0.82 MEN1 (0.52) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10079082 0.82 ACHE (0.51) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL15433373 0.82 ACHE (0.51) KMT2AMEN1NPC1RAB9AALDH1A1

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
US-9791399-B2 Derivatization of carbon SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2017-10-17 — — US disclosed
US-20140332412-A1 DERIVATIZATION OF CARBON SCHLUMBERGER TECHNOLOGY COPORATION (US) 2014-11-13 — — US disclosed
EP-2200972-A2 A REAGENT, A KIT, AND A METHOD FOR DETECTING AND IDENTIFYING A WIDE RANGE OF ILLICIT DRUGS Mistral Detection Ltd. (IL) 2010-06-30 — — EP disclosed
WO-2009027967-A2 A REAGENT, A KIT, AND A METHOD FOR DETECTING AND IDENTIFYING A WIDE RANGE OF ILLICIT DRUGS MISTRAL DETECTION LTD. (IL) 2009-03-05 — — 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-20140332412-A1 DERIVATIZATION OF CARBON FTH1, CBR1, SDHB KMT2A 961/4885MEN1 1759/4885NPC1 4423/4885

“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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