SCHEMBL3073200

SCHEMBL3073200

COc1ccc(-c2ccc(CC(N)(CCN)c3nsc4ccc(Br)cc34)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
SYK P43405 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
EPAS1 Q99814 2/20 0.34
MAPK8 P45983 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
MAPT P10636 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 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
SCHEMBL2967902 0.69 MAPK1 (0.39) MEN1KMT2AMAPTL3MBTL1NPC1
SCHEMBL13202773 0.69 CHRM2 (0.43) SYKMEN1KMT2AMAPTL3MBTL1
Ammonia Solution, Strong SCHEMBL3073202 0.69 MAOB (0.37) MAOBSYKMEN1KMT2AGABRP
SCHEMBL8481582 0.64 LSS (0.55) MEN1KMT2AMAPTGABRPGABRD
SCHEMBL2969940 0.63 NPC1 (0.47) SYKMEN1KMT2AMAPTNPC1
SCHEMBL15898941 0.60 ELANE (0.46) MAPTL3MBTL1NPC1RAB9ATP53
SCHEMBL177569 0.59 MEN1 (0.59) MAOBMEN1KMT2AMAPTL3MBTL1
SCHEMBL11707951 0.59 MAOB (0.79) MAOBTAAR1
SCHEMBL8484965 0.59 LSS (0.56) MAPT
SCHEMBL4842037 0.58 MAOB (1.00) MAOBTAAR1

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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS MAOB 990/4885SYK 2366/4885MEN1 4684/4885

“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.