SCHEMBL21145451

SCHEMBL21145451

CC1(F)C=Cc2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAD52 P43351 1/20 0.31
NOS2 P35228 2/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31

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
SCHEMBL29789697 0.79 MAPT (0.50) GAAMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL2255782 0.79 MAPT (0.50) GAAMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL1726909 0.76 GAA (0.46) GAAMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL6607968 0.76 GAA (0.46) GAAMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL1285713 0.76 MAPT (0.46) GAAMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL2125224 0.73 GAA (0.43) GAAMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL11026821 0.73 GAA (0.43) GAAMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL20338494 0.73 GAA (0.43) GAAMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL29976025 0.73 GAA (0.43) GAAMAPTALDH1A1CYP3A4HSD17B10
SCHEMBL7159138 0.71 MAPT (0.45) GAAMAPTALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190218214-A1 Inhibition of BMP Signaling Compounds, Compositions and Uses Thereof VANDERBILT UNIVERSITY 2019-07-18 US disclosed
CN-104356006-B Benzylamine, their preparation method and they as anti-inflammatory agent purposes 拜耳知识产权有限责任公司 2017-09-29 CN disclosed
CN-101522197-B Urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV 2013-12-11 CN 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-20190218214-A1 Inhibition of BMP Signaling Compounds, Compositions and Uses Thereof BMP1, BMP4, BMP2 GAA 3794/4885MAPT 4306/4885ALDH1A1 3909/4885

“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.