SCHEMBL25440002

SCHEMBL25440002

COc1ccccc1-c1nnc(C)nn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 4/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
APP P05067 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
XDH P47989 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL23066466 0.79 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HPGDTP53RAB9A
SCHEMBL16790012 0.75 CYP1A2 (0.62) ALDH1A1SMN1; SMN2HPGDTP53RAB9A
SCHEMBL29788337 0.75 CA1 (0.71) ALDH1A1SMN1; SMN2HPGDTP53RAB9A
SCHEMBL301996 0.75 CA1 (0.71) ALDH1A1SMN1; SMN2HPGDTP53RAB9A
SCHEMBL29429633 0.75 CA1 (0.71) ALDH1A1SMN1; SMN2HPGDTP53RAB9A
SCHEMBL29684860 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDTP53RAB9A
SCHEMBL25440287 0.74 GAA (0.53) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL3643541 0.73 CA1 (0.67) ALDH1A1SMN1; SMN2HPGDTP53L3MBTL1
SCHEMBL30599266 0.73 CA1 (0.67) ALDH1A1SMN1; SMN2HPGDTP53L3MBTL1
SCHEMBL29740506 0.73 CA1 (0.67) ALDH1A1SMN1; SMN2HPGDTP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS UNIVERSITY OF DELAWARE (US) 2022-04-07 US 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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 ALDH1A1 874/4885SMN1; SMN2 4647/4885HPGD 1229/4885
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS TST, CYP4F8, CYP4Z1 ALDH1A1 874/4885SMN1; SMN2 4647/4885HPGD 1229/4885

“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.