SCHEMBL2968388

SCHEMBL2968388

O=C(NCCNc1nsc2ccccc12)c1cc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.56
HDAC2 Q92769 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
ACKR3 P25106 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NAMPT P43490 2/20 0.49
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL2972982 0.83 RAB9A (0.48) RAB9AHDAC2HDAC1ACKR3ALDH1A1
SCHEMBL2976791 0.83 LMNA (0.51) RAB9AHDAC2HDAC3HDAC1ACKR3
SCHEMBL13220705 0.82 RAB9A (0.47) RAB9AHDAC2HDAC3HDAC1ACKR3
SCHEMBL2977763 0.82 CD274 (0.46) HDAC2ALDH1A1NAMPT
SCHEMBL2968834 0.81 ALDH1A1 (0.53) RAB9AALDH1A1DRD2DRD3HTR1A
SCHEMBL2969897 0.81 POLB (0.48) RAB9AHDAC1ACKR3ALDH1A1NAMPT
SCHEMBL2974074 0.80 HTR1A (0.51) ALDH1A1POLBKMT2ADRD2HTR1A
SCHEMBL2978429 0.79 ALDH1A1 (0.54) RAB9AALDH1A1HDAC8MEN1KMT2A
SCHEMBL2976521 0.79 KDM4E (0.57) HDAC2HDAC3HDAC1ACKR3ALDH1A1
SCHEMBL2977417 0.79 SMN1; SMN2 (0.53) RAB9AHDAC2HDAC3HDAC1ACKR3

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 7 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
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 RAB9A 4073/4885HDAC2 1008/4885HDAC3 928/4885

“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.