SCHEMBL12775643

SCHEMBL12775643

COc1ccc(CC(C)(C)C)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 2/20 0.46
DBH P09172 1/20 0.46
MEN1 O00255 1/20 0.46
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
GFER P55789 1/20 0.43
MAPK1 P28482 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA2 P00918 1/20 0.42

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
SCHEMBL16114691 0.86 MAPT (0.49) HTTMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3925418 0.86 MAPT (0.49) HTTMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL13547950 0.85 CA2 (0.42) HTTMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL74008 0.82 CA2 (0.63) ALDH1A1KDM4ECA2
SCHEMBL2600043 0.82 MAPT (0.49) HTTMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL28827352 0.82 PTPN1 (0.39) HTTMAPTSMN1; SMN2L3MBTL1ALDH1A1
Ammonia Solution, Strong SCHEMBL28367769 0.81 MAPT (0.48) HTTMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12844280 0.79 MAPT (0.53) HTTMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9917308 0.79 CRHBP (0.47) HTTMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2500053 0.79 MAPT (0.56) HTTMAPTSMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HTT 3053/4885MAPT 1563/4885SMN1; SMN2 1371/4885

“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.