SCHEMBL15326722

SCHEMBL15326722

Cc1nnc(-c2ccc(CNC(=O)CCCC(=O)ON3C(=O)CCC3=O)cc2)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TPSAB1 Q15661 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL29742315 0.94 TP53 (0.43) TP53ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16974355 0.89 TP53 (0.40) TP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2380417 0.89 ALDH1A1 (0.42) TP53ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL17803853 0.82 TP53 (0.40) TP53ALDH1A1SMN1; SMN2LMNATPSAB1
SCHEMBL30326680 0.82 TP53 (0.35) TP53ALDH1A1MEN1KMT2ALMNA
SCHEMBL21286290 0.81 KMT2A (0.35) TP53MEN1KMT2AHPGD
SCHEMBL17637139 0.79 MEN1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL23519429 0.79 TP53 (0.37) TP53ALDH1A1SMN1; SMN2LMNA
SCHEMBL29603305 0.78 TP53 (0.37) TP53ALDH1A1SMN1; SMN2LMNA
SCHEMBL30943672 0.78 KDM4E (0.37) TP53MEN1KMT2ALMNAPOLB

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-9533957-B2 Tetrazines and method of synthezising the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-03 — — US disclosed
US-20150099277-A1 NOVEL TETRAZINES AND METHOD OF SYNTHEZISING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-09 — — US disclosed
US-20150099277-A1 NOVEL TETRAZINES AND METHOD OF SYNTHEZISING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-09 — — US disclosed
WO-2013152359-A1 NOVEL TETRAZINES AND METHOD OF SYNTHESIZING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-10 — — 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 (1 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-20150099277-A1 NOVEL TETRAZINES AND METHOD OF SYNTHEZISING THE SAME NBAS, NAA15, TALDO1 TP53 2086/4885ALDH1A1 1712/4885SMN1; SMN2 2478/4885

“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.

Send feedback