SCHEMBL6664611

SCHEMBL6664611

NC(=O)c1cccc(-c2ccsc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.55
KAT6A Q92794 2/20 0.52
CHEK1 O14757 1/20 0.49
ERN1 O75460 1/20 0.49
PARP1 P09874 5/20 0.47
ASIC3 Q9UHC3 1/20 0.47
CYP2E1 P05181 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2B6 P20813 1/20 0.47
CNR1 P21554 1/20 0.47
IKBKB O14920 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
DHODH Q02127 1/20 0.46
ACMSD Q8TDX5 1/20 0.45
CCNT1 O60563 1/20 0.44
CCND1 P24385 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44

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
SCHEMBL27624169 0.86 KAT6A (0.55) KAT6AERN1ASIC3CYP2E1CYP2A6
SCHEMBL941444 0.84 KMO (0.61) KAT6AERN1CYP2E1CYP2A6CYP2B6
SCHEMBL31422694 0.83 PARP1 (0.64) ERN1PARP1MAPTDHODHCCNT1
SCHEMBL2431097 0.83 PARP1 (0.64) ERN1PARP1MAPTDHODHCCNT1
SCHEMBL12641873 0.83 KAT6A (0.52) CHEK2KAT6ACHEK1CYP2E1CYP2A6
Hydrochloric Acid SCHEMBL7831592 0.82 ASIC3 (0.59) CHEK2KAT6AASIC3CYP2E1CYP2A6
SCHEMBL28021307 0.81 KAT6A (0.58) KAT6ACYP2E1CYP2A6CYP2B6CNR1
SCHEMBL6999225 0.81 DHODH (0.63) ERN1PARP1MAPTDHODHCCNT1
Hydrochloric Acid SCHEMBL8700248 0.79 KAT6A (0.53) CHEK2KAT6AASIC3CNR1
SCHEMBL12582090 0.79 KAT6A (0.49) KAT6AERN1ASIC3CYP2E1CYP2A6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453828-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF FIBROMYALGIA SYNDROME AstraZeneca AB (SE) 2004-09-08 EP claimed
WO-2003032897-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF FIBROMYALGIA SYNDROME ASTRAZENECA AB (SE) 2003-04-24 WO claimed
CN-1400973-A Novel biarylcarboxamides ASTRAZENECA AB (SE) 2003-03-05 CN claimed
CN-100345847-C Novel biarylcarboxamides ASTRAZENECA AB (SE) 2007-10-31 CN disclosed
CN-1400973-A Novel biarylcarboxamides ASTRAZENECA AB (SE) 2003-03-05 CN disclosed
US-20030008867-A1 Compounds ASTRAZENECA AB (SE) 2003-01-09 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-20030008867-A1 Compounds DRD2, DRD1, GRIN2A CHEK2 3740/4885KAT6A 1440/4885CHEK1 4625/4885

“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.