SCHEMBL2977889

SCHEMBL2977889

COc1ccc(-c2ccc(CN(C)CCCN(C)c3nsc4ccccc34)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.50
ACKR3 P25106 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
TSHR P16473 1/20 0.43
BCHE P06276 4/20 0.41
EPAS1 Q99814 1/20 0.41
ACHE P22303 1/20 0.41
CNR1 P21554 3/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL13202874 0.83 EPAS1 (0.50) SMPD1ACKR3SIGMAR1TSHRBCHE
SCHEMBL2977372 0.78 SMPD1 (0.43) SMPD1ACKR3SIGMAR1TSHRBCHE
SCHEMBL5242986 0.76 SMPD1 (0.41) SMPD1ACKR3SIGMAR1TSHREPAS1
SCHEMBL2977932 0.70 EPAS1 (0.45) ACKR3SIGMAR1TSHREPAS1TP53
SCHEMBL26967760 0.70 CSF1R (0.46) TSHRBCHEACHECNR1CNR2
SCHEMBL2979142 0.69 NFE2L2 (0.43) EPAS1TP53MAPT
SCHEMBL28167685 0.67 EPAS1 (0.57) TSHREPAS1CNR1CNR2MEN1
SCHEMBL20774463 0.67 SMPD1 (1.00) SMPD1SIGMAR1TSHRBCHE
SCHEMBL23029641 0.67 ACP1 (0.70)
SCHEMBL29636682 0.67 ACP1 (0.70)

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-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
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 2927/4885ACKR3 3124/4885SIGMAR1 3257/4885

“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.