SCHEMBL17348121

SCHEMBL17348121

CCN(CC)c1ccc2c(-c3ccccc3C(=O)NCCS)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ PPARG P37231 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ NCOR2 Q9Y618 1/20 0.55
▸ FPR2 P25090 4/20 0.54
▸ TLR7 Q9NYK1 1/20 0.47
▸ CHRM1 P11229 1/20 0.46
▸ AVPR2 P30518 4/20 0.46
▸ P2RY6 Q15077 1/20 0.43
▸ NPY4R P50391 3/20 0.43
▸ SLC6A4 P31645 1/20 0.40

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
SCHEMBL13033321 0.93 MEN1 (0.56) TGM2MEN1USP2POLBPPARG
SCHEMBL25698360 0.91 TGM2 (0.57) TGM2MEN1USP2POLBPPARG
SCHEMBL12017845 0.90 MEN1 (0.53) TGM2MEN1USP2POLBPPARG
SCHEMBL14300324 0.89 MEN1 (0.54) TGM2MEN1USP2POLBPPARG
SCHEMBL18760518 0.89 FPR2 (0.56) TGM2MEN1USP2POLBPPARG
SCHEMBL12118351 0.89 MEN1 (0.59) TGM2MEN1USP2POLBPPARG
SCHEMBL10000831 0.89 P2RY6 (0.56) TGM2MEN1USP2POLBPPARG
Hydrochloric Acid SCHEMBL21112986 0.88 P2RY6 (0.56) TGM2MEN1USP2POLBPPARG
SCHEMBL18760308 0.88 USP2 (0.54) TGM2MEN1USP2POLBPPARG
SCHEMBL12173012 0.88 TGM2 (0.54) TGM2MEN1USP2POLBPPARG

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
CN-110573502-B Biocompatible modular tetrazine platform 国家科学研究中心 2023-07-18 — — CN disclosed
US-11242359-B2 Biocompatible modular tetrazine platform CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-02-08 — — US disclosed
US-20200354381-A1 BIOCOMPATIBLE MODULAR TETRAZINE PLATFORM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-11-12 — — US disclosed
EP-3609885-A1 BIOCOMPATIBLE MODULAR TETRAZINE PLATFORM Centre National De La Recherche Scientifique (FR) 2020-02-19 — — EP disclosed
CN-110573502-A biocompatible modular tetrazine platform 国家科学研究中心 2019-12-13 — — CN disclosed
WO-2018172543-A1 BIOCOMPATIBLE MODULAR TETRAZINE PLATFORM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-09-27 — — WO disclosed
US-20170227545-A1 REACTIVITY-BASED SCREENING FOR NATURAL PRODUCT DISCOVERY THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2017-08-10 — — US disclosed
US-20170227545-A1 REACTIVITY-BASED SCREENING FOR NATURAL PRODUCT DISCOVERY THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2017-08-10 — — US disclosed
WO-2015191789-A2 REACTIVITY-BASED SCREENING FOR NATURAL PRODUCT DISCOVERY THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-12-17 — — 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-20200354381-A1 BIOCOMPATIBLE MODULAR TETRAZINE PLATFORM DYRK4, TALDO1, DYRK3 TGM2 951/4885MEN1 126/4885USP2 1356/4885
US-11242359-B2 Biocompatible modular tetrazine platform DYRK4, TALDO1, DYRK3 TGM2 951/4885MEN1 126/4885USP2 1356/4885
US-20170227545-A1 REACTIVITY-BASED SCREENING FOR NATURAL PRODUCT DISCOVERY NQO1, NCL, NANS TGM2 2307/4885MEN1 458/4885USP2 3251/4885

“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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