SCHEMBL19414909

SCHEMBL19414909

O=C1OCc2cc(CNc3ccccc3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.62
PARP1 P09874 1/20 0.53
KCNJ1 P48048 2/20 0.52
KCNH2 Q12809 2/20 0.52
MAOB P27338 5/20 0.51
MAPT P10636 5/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
PRF1 P14222 2/20 0.47
ACHE P22303 1/20 0.47
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.43
NR3C1 P04150 2/20 0.43
PGR P06401 2/20 0.43
NR3C2 P08235 1/20 0.43

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
SCHEMBL19414841 0.88 MAOA (0.74) MAOAPARP1MAOBMAPT
SCHEMBL19414843 0.85 MAOA (0.59) MAOAPARP1MAOBMAPTGAA
SCHEMBL25421184 0.79 KCNJ1 (0.52) MAOAKCNJ1KCNH2MAOBMAPT
SCHEMBL1656137 0.78 MAOA (0.60) MAOAKCNJ1KCNH2MAOBMAPT
SCHEMBL13870507 0.74 KCNJ1 (0.60) MAOAKCNJ1KCNH2MAOBMAPT
SCHEMBL31135367 0.74 KCNJ1 (0.60) MAOAKCNJ1KCNH2MAOBMAPT
SCHEMBL13554892 0.74 KCNJ1 (0.60) MAOAKCNJ1KCNH2MAOBMAPT
SCHEMBL29861325 0.74 PRF1 (0.65) MAOAKCNJ1KCNH2MAOBMAPT
SCHEMBL1702314 0.74 PRF1 (0.65) MAOAKCNJ1KCNH2MAOBMAPT
SCHEMBL26994676 0.74 MAOA (0.59) MAOAKCNJ1KCNH2MAOBMAPT

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-10889590-B2 Derivatives of uncialamycin, methods of synthesis and their use as antitumor agents WILLIAM MARSH RICE UNIVERSITY (US) 2021-01-12 US disclosed
US-10233192-B2 Derivatives of uncialamycin, methods of synthesis and their use as antitumor agents WILLIAM MARSH RICE UNIVERSITY (US) 2019-03-19 US disclosed
US-20180065976-A1 DERIVATIVES OF UNCIALAMYCIN, METHODS OF SYNTHESIS AND THEIR USE AS ANTITUMOR AGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-08 US disclosed
US-9777013-B2 Derivatives of uncialamycin, methods of synthesis and their use as antitumor agents WILLIAM MARSH RICE UNIVERSITY (US) 2017-10-03 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 (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-10233192-B2 Derivatives of uncialamycin, methods of synthesis and their use as antitumor agents UNC119, UNC93B1, RIOX2 MAOA 3450/4885PARP1 2470/4885KCNJ1 4454/4885
US-10889590-B2 Derivatives of uncialamycin, methods of synthesis and their use as antitumor agents UNC119, UNC93B1, RIOX2 MAOA 3450/4885PARP1 2470/4885KCNJ1 4454/4885
US-20180065976-A1 DERIVATIVES OF UNCIALAMYCIN, METHODS OF SYNTHESIS AND THEIR USE AS ANTITUMOR AGENTS UNC119, UNC93B1, RIOX2 MAOA 3450/4885PARP1 2470/4885KCNJ1 4454/4885

“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.