SCHEMBL4811996

SCHEMBL4811996

[c]1cncc(Nc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.48
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 5/20 0.46
TSHR P16473 4/20 0.46
ALOX12 P18054 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALOX15 P16050 2/20 0.46
MAPK1 P28482 2/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
PTGS2 P35354 1/20 0.46
HTR2B P41595 1/20 0.46
MAPT P10636 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 2/20 0.42
ALPG P10696 1/20 0.42
AR P10275 1/20 0.41
CYP3A4 P08684 5/20 0.39

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
Diphenylamine SCHEMBL8602771 0.72 HSD17B10 (0.92) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL7059764 0.72 HSD17B10 (0.60) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL11470761 0.72 HSD17B10 (0.60) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL2067216 0.70
SCHEMBL29845262 0.70 KMT2A (0.61) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL226139 0.70 HSD17B10 (0.57) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL4591751 0.70 KMT2A (0.61) HSD17B10ALDH1A1TDP1TSHRALOX12
Diphenylamine SCHEMBL11650896 0.69 HSD17B10 (0.86) HSD17B10ALDH1A1TDP1TSHRALOX12
Diphenylamine SCHEMBL8852775 0.69 HSD17B10 (0.86) HSD17B10ALDH1A1TDP1TSHRALOX12
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL26929497 0.69 ALDH1A1 (0.93) HSD17B10ALDH1A1TDP1TSHRALOX12

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
CN-103459384-A Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS INC 2013-12-18 CN disclosed
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US disclosed
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-22 US disclosed
EP-1661904-A1 NOVEL AZALIDE AND AZALACTAM DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2006-05-31 EP 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-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same BCL6, NR4A1, NR4A2 HSD17B10 852/4885ALDH1A1 1363/4885TDP1 4481/4885

“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.