SCHEMBL3633037

SCHEMBL3633037

c1cc2c3c(ccc2o1)CCO3

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
DAO P14920 1/20 0.37
PARP1 P09874 1/20 0.36
HTR1A P08908 1/20 0.35
DRD3 P35462 1/20 0.35
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
NFKB1 P19838 1/20 0.33
PAX8 Q06710 1/20 0.31
FTO Q9C0B1 1/20 0.31

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
SCHEMBL29958302 0.89 HTR2A (0.44) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL18527205 0.74 HTR2A (0.36) HTR2AHTR2CHTR2BMAOAMAOB
SCHEMBL29395407 0.74 HTR2A (0.44) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL18527219 0.69 HTR2A (0.46) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL19869345 0.68 CYP2A6 (0.30)
SCHEMBL4429415 0.68 PAX8 (0.48) HTR2AHTR2CHTR2BMAOAMAOB
SCHEMBL13983903 0.67 HTR2C (0.66) HTR2AHTR2CHTR2BPARP1HTR1A
SCHEMBL26064999 0.66 HTR2A (0.36) HTR2AHTR2CHTR2BPARP1
SCHEMBL26065397 0.66 HTR1A (0.32) HTR1ADRD3
SCHEMBL30956292 0.66 HTR2A (0.39) HTR2AHTR2CHTR2BMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-02-23 US disclosed
US-20100120760-A1 BENZOFURAN-CARBOXAMIDE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANG (IT) 2010-05-13 US disclosed
EP-2146999-A1 BENZOFURAN- CARBOXAMIDE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2010-01-27 EP disclosed
WO-2008125874-A1 BENZOFURAN- CARBOXAMIDE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-23 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 (2 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-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC HTR2A 189/4885HTR2C 215/4885HTR2B 549/4885
US-20100120760-A1 BENZOFURAN-CARBOXAMIDE DERIVATIVES AS ANTIVIRAL AGENTS ZC3HAV1, EIF2AK2, GTF3C1 HTR2A 4666/4885HTR2C 4068/4885HTR2B 4461/4885

“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.