SCHEMBL2807442

SCHEMBL2807442

Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N)c(C(Br)(Br)Br)c4)cc3)cc2)cc1C(Br)(Br)Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
PKM P14618 2/20 0.42
HTR6 P50406 2/20 0.42
NR4A1 P22736 1/20 0.41
SOS1 Q07889 4/20 0.41
MMP2 P08253 1/20 0.39
MMP14 P50281 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
LMNA P02545 4/20 0.38
TSHR P16473 2/20 0.38
MPO P05164 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37

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
SCHEMBL652562 0.86 FFAR4 (0.51) HTTL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL2807270 0.86 HTT (0.44) HTTL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL10728280 0.81 NR4A1 (0.65) HTTL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL2813395 0.81 HTR6 (0.52) HTTALDH1A1PKMHTR6LMNA
SCHEMBL10353014 0.80 HTT (0.55) HTTL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL2812085 0.80 CA2 (0.55) HTTL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL11299035 0.77 NR4A1 (0.55) HTTL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL2747047 0.77 MMP2 (0.60) HTTL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL2807638 0.77 SOS1 (0.54) HTTL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL2807557 0.77 SOS1 (0.58) HTTL3MBTL1TDP1ALDH1A1SMN1; SMN2

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
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 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 (2 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B HTT 2040/4885L3MBTL1 2524/4885TDP1 4533/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 HTT 928/4885L3MBTL1 1275/4885TDP1 4001/4885

“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.