SCHEMBL2963493

SCHEMBL2963493

O=C(NCCCNc1nsc2ccccc12)c1cccc(NCCc2ccccn2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.43
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASP3 P42574 1/20 0.41
STAT6 P42226 1/20 0.41
CFTR P13569 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
HPGD P15428 1/20 0.39
NAMPT P43490 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL2965476 0.85 HPGD (0.45) SMN1; SMN2CFTRHPGD
SCHEMBL13202801 0.84 HDAC2 (0.42) SMN1; SMN2ADORA2AADORA1NAMPTMEN1
SCHEMBL2975460 0.83 SMN1; SMN2 (0.60) SMN1; SMN2CFTRNAMPTMEN1KMT2A
SCHEMBL2963769 0.83 ALOX15 (0.47) CYP1A2KDM4EHPGDMEN1KMT2A
SCHEMBL2977481 0.81 LMNA (0.43) CFTRKDM4EHPGD
SCHEMBL2976816 0.78 HPGD (0.51) SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL2975478 0.78 KCNA3 (0.44) SMN1; SMN2HPGD
SCHEMBL2968291 0.77 KMT2A (0.56) SMN1; SMN2CFTRNAMPTMEN1KMT2A
SCHEMBL2976449 0.77 TP53 (0.48) SMN1; SMN2KDM4EHPGDNAMPTMEN1
SCHEMBL2967195 0.76 GRM5 (0.40) KDM4EHPGDMEN1KMT2A

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
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 APP 4308/4885CYP1A2 862/4885SMN1; SMN2 4300/4885

“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.