SCHEMBL14029026

SCHEMBL14029026

Bc1cc(N=O)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
PTGS2 P35354 5/20 0.37
PTGS1 P23219 4/20 0.37
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL279706 0.81 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13368487 0.78 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12045524 0.76 KMT2A (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12459048 0.76 ALDH1A1 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12844550 0.76 PTGS1 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12374585 0.76 ALDH1A1 (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12045523 0.76 LMNA (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13715693 0.74 TAAR1 (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12154783 0.73 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18071227 0.73 RARA (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452873-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-18 US disclosed
US-20080255105-A1 Biphenyl Derivatives and Their Use in Treating Hepatitis C ARROW THERAPEUTICS LIMITED (GB) 2008-10-16 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-20080255105-A1 Biphenyl Derivatives and Their Use in Treating Hepatitis C NR4A1, NR0B1, NR1H4 HTR3E 778/4885HTR3B 630/4885HTR3A 605/4885

“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.