SCHEMBL2194908

SCHEMBL2194908

CC(C)CC(Br)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 4/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
KCNH2 Q12809 4/20 0.34
HIF1A Q16665 2/20 0.34
ACHE P22303 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6258732 0.79 MC4R (0.41) CYP3A4KMT2AMEN1ALDH1A1MAPT
SCHEMBL11996601 0.79 CYP3A4 (0.44) CYP3A4KMT2AMEN1ALDH1A1MAPT
SCHEMBL626283 0.76 P2RX7 (0.42) CYP3A4KMT2AMEN1ALDH1A1MAPT
SCHEMBL30846983 0.76 P2RX7 (0.42) CYP3A4KMT2AMEN1ALDH1A1MAPT
SCHEMBL13995160 0.76 CYP3A4 (0.41) CYP3A4KMT2AMEN1ALDH1A1MAPT
SCHEMBL16292877 0.76 CYP3A4 (0.41) CYP3A4KMT2AMEN1ALDH1A1MAPT
SCHEMBL5845796 0.76 CYP3A4 (0.49) CYP3A4KMT2AMEN1ALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL16291994 0.74 IDO1 (0.41) CYP3A4KMT2AMEN1ALDH1A1MAPT
SCHEMBL14873237 0.73 CYP3A4 (0.40) CYP3A4KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL19397716 0.73 KAT2B (0.42) CYP3A4KMT2AMEN1ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172097-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing The Same BASF SE (DE) 2011-07-14 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 (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-20110172097-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing The Same COX4I1, CYP2C19, CYP3A43 CYP3A4 4/4885KMT2A 1323/4885MEN1 986/4885

“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.