SCHEMBL2977372

SCHEMBL2977372

COc1ccc(-c2ccc(CN(C)CCC(N)c3nsc4ccccc34)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.43
TSHR P16473 1/20 0.40
EPAS1 Q99814 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACKR3 P25106 2/20 0.38
ACHE P22303 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
PAX8 Q06710 1/20 0.36
BCHE P06276 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL5242986 0.86 SMPD1 (0.41) SMPD1TSHREPAS1MEN1KMT2A
SCHEMBL6109034 0.80 EPAS1 (0.40) TSHREPAS1MEN1KMT2A
SCHEMBL2969567 0.80 KMT2A (0.43) EPAS1MEN1KMT2ABCHECNR1
SCHEMBL2977889 0.78 SMPD1 (0.50) SMPD1TSHREPAS1MEN1KMT2A
SCHEMBL13202874 0.76 EPAS1 (0.50) SMPD1TSHREPAS1ACKR3ACHE
SCHEMBL2977514 0.75 CASR (0.41) EPAS1MEN1KMT2ABCHE
SCHEMBL2966689 0.73 MEN1 (0.45) EPAS1MEN1KMT2ACNR1CNR2
SCHEMBL2978835 0.73 EPAS1 (0.41) EPAS1MEN1KMT2A
SCHEMBL5282322 0.72 EPAS1 (0.42) EPAS1KMT2A
SCHEMBL2968869 0.70 MAPK1 (0.41) MEN1KMT2ACNR1CNR2

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 SMPD1 2927/4885TSHR 4487/4885EPAS1 917/4885

“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.