SCHEMBL2977893

SCHEMBL2977893

O=C(NCCCNc1nsc2ccccc12)c1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 7/20 0.49
LMNA P02545 4/20 0.49
RECQL P46063 1/20 0.46
HPGD P15428 4/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL2977325 0.89 SMN1; SMN2 (0.46) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL2977520 0.87 KDM4E (0.47) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL2968383 0.87 ALDH1A1 (0.50) ALDH1A1KDM4ELMNARECQLPOLB
SCHEMBL2962211 0.82 TP53 (0.51) MAPTTP53DRD2
SCHEMBL2970668 0.82 KMT2A (0.49) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL2968277 0.81 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAPOLBMAPT
SCHEMBL2978913 0.80 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL2978103 0.80 HDAC1 (0.52)
SCHEMBL2968294 0.80 THRB (0.54) ALDH1A1KDM4ELMNAPOLBMAPT
SCHEMBL13202847 0.79 L3MBTL1 (0.47) ALDH1A1KDM4EPOLBMAPTHTT

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 ALDH1A1 227/4885KDM4E 2196/4885LMNA 4468/4885

“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.