SCHEMBL14938432

SCHEMBL14938432

CCOC(=O)C1(c2ccncc2[N+](=O)[O-])CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
OPRM1 P35372 5/20 0.39
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
SLC22A1 O15245 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
LATS1 O95835 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL16485964 0.81 HTT (0.43) MEN1KMT2ACYP1A2SMN1; SMN2GAA
SCHEMBL23247712 0.78 MEN1 (0.43) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL19410750 0.77 OPRM1 (0.43) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL28040760 0.76 ALDH1A1 (0.43) MEN1KMT2ALMNACYP1A2KDM4E
SCHEMBL15650377 0.76 MEN1 (0.41) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL23563098 0.76 OPRM1 (0.42) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10371110 0.75 MAPT (0.35) MEN1KMT2AKDM4ESMN1; SMN2GAA
SCHEMBL6737967 0.75 OPRM1 (0.61) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL23541122 0.75 OPRM1 (0.41) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL2924521 0.74 OPRM1 (0.55) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809575-B2 Pharmaceutical compounds ReViral Limited (GB) 2017-11-07 US disclosed
EP-2909195-B1 RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-06-14 EP disclosed
US-9617289-B2 RSV antiviral compounds JANSSEN SCIENCES IRELAND UC (IE) 2017-04-11 US disclosed
US-9617289-B2 RSV antiviral compounds JANSSEN SCIENCES IRELAND UC (IE) 2017-04-11 US disclosed
EP-2776416-B1 PHARMACEUTICAL COMPOUNDS RE VIRAL LTD (GB) 2016-01-13 EP disclosed
US-20150259367-A1 RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (US) 2015-09-17 US disclosed
US-20150259367-A1 RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (US) 2015-09-17 US disclosed
US-20140308282-A1 PHARMACEUTICAL COMPOUNDS re: Viral Ltd (GB) 2014-10-16 US disclosed
EP-2776416-A1 PHARMACEUTICAL COMPOUNDS Re:Viral Ltd. (GB) 2014-09-17 EP disclosed
WO-2014060411-A1 RSV ANTIVIRAL COMPOUNDS JANSSEN R&D IRELAND (IE) 2014-04-24 WO disclosed
WO-2013068769-A1 PHARMACEUTICAL COMPOUNDS RE:VIRAL LTD (GB) 2013-05-16 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 (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-20140308282-A1 PHARMACEUTICAL COMPOUNDS CYP2S1, H1-2, CBR1 MEN1 2582/4885KMT2A 2473/4885LMNA 1620/4885
US-20150259367-A1 RSV ANTIVIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, RTF1 MEN1 4051/4885KMT2A 1871/4885LMNA 1504/4885

“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.