SCHEMBL12686705

SCHEMBL12686705

COCCN(C)c1cc(N)c([N+](=O)[O-])cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 2/20 0.39
▸ VCAM1 P19320 1/20 0.38
▸ PKM P14618 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ DGAT1 O75907 3/20 0.35
▸ ADK P55263 1/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL29980777 1.00 ALDH1A1 (0.45) ALDH1A1MAPTLMNAVCAM1PKM
SCHEMBL13455116 0.80 ADK (0.40) DGAT1ADKGPBAR1
SCHEMBL29980916 0.80 ADK (0.40) DGAT1ADKGPBAR1
SCHEMBL5251446 0.78 TDP1 (0.42) ALDH1A1MAPTLMNAPKMPOLB
SCHEMBL12288117 0.76 MAPT (0.48) ALDH1A1MAPTLMNAVCAM1PKM
SCHEMBL31570517 0.75 MAPT (0.39) ALDH1A1MAPTLMNAPKMPOLB
SCHEMBL14659505 0.74 PKM (0.64) MAPTPKMPOLBDGAT1ADK
SCHEMBL30672775 0.74 PKM (0.64) MAPTPKMPOLBDGAT1ADK
SCHEMBL17376260 0.71 ALDH1A1 (0.40) ALDH1A1MAPTLMNAPKMPOLB
SCHEMBL19172437 0.70 VCAM1 (0.40) ALDH1A1MAPTLMNAVCAM1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220296605-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2022-09-22 — — US disclosed
US-11034690-B2 Heterocyclic modulators of lipid synthesis Saginiet Biosciences Inc. (US) 2021-06-15 — — US disclosed
EP-3190108-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC (US) 2021-05-19 — — EP disclosed
US-20190308969-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2019-10-10 — — US disclosed
EP-3538088-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V Biosciences, Inc. (US) 2019-09-18 — — EP disclosed
US-20190269694-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2019-09-05 — — US disclosed
WO-2018089904-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2018-05-17 — — WO disclosed
US-9809591-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2017-11-07 — — US disclosed
EP-3190108-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V Biosciences, Inc. (US) 2017-07-12 — — EP disclosed
US-20170119786-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2017-05-04 — — US disclosed
US-20170119786-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2017-05-04 — — US disclosed
EP-2683244-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES INC (US) 2017-02-01 — — EP disclosed
US-20160102091-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2016-04-14 — — US disclosed
US-20160102091-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2016-04-14 — — US disclosed
US-20140322355-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2014-10-30 — — US disclosed
US-8871790-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2014-10-28 — — US disclosed
US-8871790-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2014-10-28 — — US disclosed
US-20120264737-A1 Heterocyclic Modulators of Lipid Synthesis 3-V BIOSCIENCES, INC. (US) 2012-10-18 — — US disclosed
US-20120264737-A1 Heterocyclic Modulators of Lipid Synthesis 3-V BIOSCIENCES, INC. (US) 2012-10-18 — — US disclosed
WO-2012122391-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2012-09-13 — — 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 (8 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-20120264737-A1 Heterocyclic Modulators of Lipid Synthesis FASN, FADS1, FADS2 ALDH1A1 888/4885MAPT 4503/4885LMNA 3707/4885
US-20140322355-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 ALDH1A1 888/4885MAPT 4503/4885LMNA 3707/4885
US-20170119786-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD ALDH1A1 724/4885MAPT 4329/4885LMNA 3803/4885
US-11034690-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, SCD ALDH1A1 724/4885MAPT 4329/4885LMNA 3803/4885
US-20220296605-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD ALDH1A1 724/4885MAPT 4329/4885LMNA 3803/4885
US-20190308969-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD ALDH1A1 687/4885MAPT 4193/4885LMNA 3815/4885
US-20190269694-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD ALDH1A1 724/4885MAPT 4329/4885LMNA 3803/4885
US-20160102091-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 ALDH1A1 888/4885MAPT 4503/4885LMNA 3707/4885

“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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