SCHEMBL2969503

SCHEMBL2969503

CCCC(=O)Nc1ccc2sc(C(=O)NCCCNc3nsc4ccccc34)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
HDAC1 Q13547 7/20 0.44
ACKR3 P25106 1/20 0.42
NAMPT P43490 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
CLK1 P49759 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2965924 0.97 RAB9A (0.51) RAB9AHDAC1ACKR3NAMPTPOLB
SCHEMBL2979249 0.91 RAB9A (0.49) RAB9AHDAC1ACKR3NAMPTPOLB
SCHEMBL2969576 0.83 NPC1 (0.45) RAB9AHDAC1ACKR3TP53MAPT
SCHEMBL2972982 0.83 RAB9A (0.48) RAB9AHDAC1ACKR3NAMPTPOLB
SCHEMBL2976791 0.83 LMNA (0.51) RAB9AHDAC1ACKR3NAMPTCLK1
SCHEMBL2972893 0.80 SMN1; SMN2 (0.45) RAB9AHDAC1TP53MAPTHDAC3
SCHEMBL2968388 0.78 RAB9A (0.56) RAB9AHDAC1ACKR3NAMPTPOLB
SCHEMBL13220705 0.77 RAB9A (0.47) RAB9AHDAC1ACKR3NAMPTPOLB
SCHEMBL2969897 0.75 POLB (0.48) RAB9AHDAC1ACKR3NAMPTPOLB
SCHEMBL2977856 0.75 TP53 (0.55) TP53MAPTSMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP claimed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO claimed
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
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO 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 RAB9A 4073/4885HDAC1 604/4885ACKR3 3124/4885

“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.