SCHEMBL18375511

SCHEMBL18375511

C[C@H](NC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 2/20 0.55
MGLL Q99685 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
PHGDH O43175 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47

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
SCHEMBL18375290 0.88 ALDH1A1 (0.53) ALDH1A1KMT2AMGLLSMN1; SMN2GAA
SCHEMBL28211429 0.86 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMGLLSMN1; SMN2
SCHEMBL15663909 0.85 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ALMNAMGLL
SCHEMBL15664050 0.85 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ALMNAMGLL
SCHEMBL29586254 0.85 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ALMNAMGLL
SCHEMBL29586658 0.85 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ALMNAMGLL
SCHEMBL9046891 0.84 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL8134776 0.84 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL8701763 0.84 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL7423587 0.84 MGLL (0.53) ALDH1A1MEN1KMT2ALMNAMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774722-B1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE INC (US) 2024-07-24 EP disclosed
US-11484525-B2 Mu opioid receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-11-01 US disclosed
US-11352316-B2 Opioid receptor modulators and products and methods related thereto EPIODYNE, INC. (US) 2022-06-07 US disclosed
EP-3319444-B1 MU OPIOID RECEPTOR MODULATORS UNIV CALIFORNIA (US) 2022-03-09 EP disclosed
US-20210052548-A1 MU OPIOID RECEPTOR MODULATORS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-02-25 US disclosed
US-10702498-B2 MU opioid receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-07 US disclosed
US-20200109126-A1 MU OPIOID RECEPTOR MODULATORS UNIV CALIFORNIA (US) 2020-04-09 US disclosed
US-20190076398-A1 MU OPIOID RECEPTOR MODULATORS Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2019-03-14 US disclosed
WO-2017007695-A1 MU OPIOID RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-12 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 (6 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-11484525-B2 Mu opioid receptor modulators OPRM1, OPRK1, OPRD1 ALDH1A1 1790/4885MEN1 4881/4885KMT2A 3011/4885
US-10702498-B2 MU opioid receptor modulators OPRM1, OPRK1, OPRD1 ALDH1A1 1790/4885MEN1 4881/4885KMT2A 3011/4885
US-11352316-B2 Opioid receptor modulators and products and methods related thereto OPRM1, OPRD1, OPRK1 ALDH1A1 1571/4885MEN1 4643/4885KMT2A 2424/4885
US-20190076398-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 ALDH1A1 1790/4885MEN1 4881/4885KMT2A 3011/4885
US-20210052548-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 ALDH1A1 1790/4885MEN1 4881/4885KMT2A 3011/4885
US-20200109126-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 ALDH1A1 1790/4885MEN1 4881/4885KMT2A 3011/4885

“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.