SCHEMBL2840091

SCHEMBL2840091

O=C(OCc1ccc2c(c1)OCO2)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP3A4 P08684 1/20 0.55
MAPT P10636 4/20 0.54
ALDH1A1 P00352 4/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
MGLL Q99685 2/20 0.49
FAAH O00519 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48

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
SCHEMBL5827968 0.82 HTR2A (0.80) HTR2AALDH1A1HTTRAB9A
SCHEMBL12524469 0.81 HTR2A (0.74) HTR2AMAPTALDH1A1HTTRAB9A
SCHEMBL14621621 0.79 HTR2A (0.74) HTR2AALDH1A1HTTRAB9A
SCHEMBL6395093 0.78 HTR2A (0.62) HTR2AMEN1KMT2AMAPTALDH1A1
SCHEMBL5215283 0.78 CYP3A4 (0.60) MEN1KMT2ASMN1; SMN2CYP3A4MAPT
SCHEMBL29586964 0.78 HTR2A (0.62) HTR2AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13553426 0.78 KCNJ1 (0.55) HTR2ASMN1; SMN2MAPTALDH1A1POLB
SCHEMBL14538159 0.78 HTR2A (0.59) HTR2AALDH1A1HTTRAB9A
SCHEMBL669310 0.77 CYP3A4 (0.67) MEN1KMT2ASMN1; SMN2CYP3A4MAPT
SCHEMBL25187205 0.76 HTR2A (0.70) HTR2AMEN1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235008-B1 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS JANSSEN SCIENCES IRELAND UC (IE) 2016-03-16 EP disclosed
US-8350048-B2 Amide compounds as boosters of antivirals JANSSEN R&D IRELAND (IE) 2013-01-08 US disclosed
US-8350048-B2 Amide compounds as boosters of antivirals JANSSEN R&D IRELAND (IE) 2013-01-08 US disclosed
US-8350048-B2 Amide compounds as boosters of antivirals JANSSEN R&D IRELAND (IE) 2013-01-08 US disclosed
US-20100305073-A1 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS TIBOTEC BVBA 2010-12-02 US disclosed
US-20100305073-A1 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS TIBOTEC BVBA 2010-12-02 US disclosed
US-20100305073-A1 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS TIBOTEC BVBA 2010-12-02 US disclosed
EP-2235008-A2 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS Tibotec Pharmaceuticals (IE) 2010-10-06 EP disclosed
WO-2009071650-A2 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-06-11 WO disclosed
WO-2009071650-A2 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-06-11 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-20100305073-A1 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS CYP3A5, CYP3A4, CYP3A43 HTR2A 1950/4885MEN1 4833/4885KMT2A 2640/4885

“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.