SCHEMBL13740504

SCHEMBL13740504

O=C1NC2CC/C=C/CCC2N1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL13740507 1.00 ALDH1A1 (0.35) ALDH1A1
SCHEMBL19932524 1.00 ALDH1A1 (0.35) ALDH1A1
SCHEMBL6457893 0.80
SCHEMBL12601191 0.75 ALDH1A1 (0.52) ALDH1A1
SCHEMBL19781288 0.75 ALDH1A1 (0.52) ALDH1A1
SCHEMBL2562394 0.75
SCHEMBL22579511 0.75 ALDH1A1 (0.52) ALDH1A1
SCHEMBL2881411 0.75 ALDH1A1 (0.52) ALDH1A1
SCHEMBL14479600 0.73 PARP1 (0.34)
SCHEMBL12324791 0.73 PARP1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-05-11 US disclosed
US-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-05-11 US disclosed
EP-2707035-B1 PRETARGETING KIT FOR IMAGING OR THERAPY COMPRISING A TRANS-CYCLOOCTENE DIENOPHILE AND A DIENE TAGWORKS PHARMACEUTICALS B V (NL) 2020-04-01 EP disclosed
EP-2707035-B1 PRETARGETING KIT FOR IMAGING OR THERAPY COMPRISING A TRANS-CYCLOOCTENE DIENOPHILE AND A DIENE TAGWORKS PHARMACEUTICALS B V (NL) 2020-04-01 EP disclosed
US-20190247513-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2019-08-15 US disclosed
US-9913921-B2 Pretargeting kit for imaging or therapy comprising a trans-cyclooctene dienophile and a diene TAGWORKS PHARMACEUTICALS B.V. (NL) 2018-03-13 US disclosed
US-9913921-B2 Pretargeting kit for imaging or therapy comprising a trans-cyclooctene dienophile and a diene TAGWORKS PHARMACEUTICALS B.V. (NL) 2018-03-13 US disclosed
US-20160151505-A1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS N.V. (NL) 2016-06-02 US disclosed
EP-2707035-A1 PRETARGETING KIT FOR IMAGING OR THERAPY COMPRISING A TRANS - CYCLOOCTENE DIENOPHILE AND A DIENE Koninklijke Philips N.V. (NL) 2014-03-19 EP disclosed
WO-2012156920-A1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-11-22 WO disclosed
WO-2012153254-A1 PRETARGETING KIT FOR IMAGING OR THERAPY COMPRISING A TRANS - CYCLOOCTENE DIENOPHILE AND A DIENE KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-11-15 WO disclosed
WO-2012153254-A1 PRETARGETING KIT FOR IMAGING OR THERAPY COMPRISING A TRANS - CYCLOOCTENE DIENOPHILE AND A DIENE KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-11-15 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-20190247513-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION KIT, TPSB2, BTD ALDH1A1 744/4885
US-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION KIT, TPSB2, BTD ALDH1A1 760/4885
US-20160151505-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS ALDH1A1 935/4885

“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.