SCHEMBL4943772

SCHEMBL4943772

COc1ccc(Nc2ccccc2N)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.58
MAPT P10636 4/20 0.58
RAB9A P51151 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
RECQL P46063 2/20 0.58
KDM4E B2RXH2 2/20 0.58
THRB P10828 1/20 0.58
HTT P42858 1/20 0.58
MMP14 P50281 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HDAC1 Q13547 7/20 0.49
MAPK14 Q16539 3/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49

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
SCHEMBL6439831 0.83 GAA (0.64) GAAMAPTRAB9AALDH1A1MEN1
Hydrochloric Acid SCHEMBL6438214 0.81 MAPT (0.62) GAAMAPTRAB9AALDH1A1MEN1
SCHEMBL16657402 0.80 EGFR (0.50) GAAHTTHDAC1CYP1A2CYP2D6
SCHEMBL3610761 0.79 MAPT (0.56) GAAMAPTRAB9AALDH1A1MEN1
SCHEMBL3606443 0.78 ALDH1A1 (0.47) GAAMAPTRAB9AALDH1A1MEN1
SCHEMBL29581577 0.78 ALDH1A1 (0.47) GAAMAPTRAB9AALDH1A1MEN1
SCHEMBL1681221 0.78 MAP2K1 (0.49) GAARAB9AALDH1A1
SCHEMBL9095634 0.77 FABP3 (0.62) GAAMAPTRAB9AALDH1A1MEN1
SCHEMBL7001777 0.76 RAB9A (0.68) GAAMAPTRAB9AALDH1A1MEN1
SCHEMBL1681702 0.76 MAP2K1 (0.45) GAAMAPTRAB9AALDH1A1MEN1

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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 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 (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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 GAA 525/4885MAPT 97/4885RAB9A 2572/4885

“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.