SCHEMBL4132946

SCHEMBL4132946

CC(=O)Nc1ccc(OC(=O)CCOC(C)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ OPRK1 P41145 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.51
▸ TDP1 Q9NUW8 2/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CYP1A2 P05177 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ADRB2 P07550 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ HTT P42858 2/20 0.45

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
SCHEMBL4128792 0.88 KMT2A (0.54) KMT2AMEN1OPRK1ALDH1A1TDP1
SCHEMBL3665715 0.81 MAPT (0.48) KMT2AMEN1OPRK1ALDH1A1TDP1
SCHEMBL27476119 0.79 OPRK1 (0.66) KMT2AMEN1OPRK1ALDH1A1TDP1
SCHEMBL4121655 0.79 KMT2A (0.57) KMT2AMEN1OPRK1ALDH1A1TDP1
SCHEMBL6067593 0.79 KMT2A (0.57) KMT2AMEN1OPRK1ALDH1A1TDP1
SCHEMBL12291744 0.78 KMT2A (0.75) KMT2AMEN1OPRK1ALDH1A1TDP1
SCHEMBL20769767 0.78 KMT2A (0.64) KMT2AMEN1OPRK1ALDH1A1TDP1
SCHEMBL4128787 0.78 KMT2A (0.55) KMT2AMEN1OPRK1ALDH1A1TDP1
SCHEMBL425634 0.77 KMT2A (0.54) KMT2AMEN1OPRK1ALDH1A1TDP1
SCHEMBL4121702 0.77 OPRK1 (0.62) KMT2AMEN1OPRK1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629368-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2009-12-08 — — US disclosed
US-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2009-03-19 — — US disclosed
US-7465803-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2008-12-16 — — US disclosed
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2008-08-14 — — US disclosed
EP-1339665-B1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX SA (FR) 2007-12-19 — — EP disclosed
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2004-02-05 — — US disclosed
EP-1339665-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS Nicox S.A. (FR) 2003-09-03 — — EP disclosed
WO-2002030866-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. (FR) 2002-04-18 — — 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 (3 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-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR0B1, NOX1 KMT2A 3396/4885MEN1 4805/4885OPRK1 82/4885
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR2E1, CYP2E1 KMT2A 2845/4885MEN1 4552/4885OPRK1 120/4885
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis TPMT, NOX1, CBR1 KMT2A 2615/4885MEN1 4828/4885OPRK1 412/4885

“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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