SCHEMBL1064192

SCHEMBL1064192

O=[N+]([O-])c1cc(N2CCCC2)c2occc2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
ALDH1A1 P00352 10/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2D6 P10635 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
MAPT P10636 3/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL1059332 0.99 GAA (0.50) GAAALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL5988931 0.91 GAA (0.44) GAAALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL1059641 0.89 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL3626555 0.89 SIRT6 (0.49) GAAALDH1A1LMNACYP1A2CYP2C19
SCHEMBL1064253 0.88 ADRB1 (0.48) ALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL1066398 0.84 MAPT (0.44) ALDH1A1LMNASMN1; SMN2MAPTNPSR1
SCHEMBL1059757 0.80 MAPT (0.43) ALDH1A1SMN1; SMN2MAPT
SCHEMBL1064174 0.80 MAPT (0.60) ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5992719 0.78 NPSR1 (0.38) ALDH1A1LMNASMN1; SMN2MAPTPKM
SCHEMBL1058976 0.77 ALDH1A1 (0.47) GAAALDH1A1LMNACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015185-A1 Benzofuran Compounds BIOVITRUM AB (SE) 2011-01-20 US disclosed
US-7820675-B2 Benzofuran compounds BIOVITRUM AB (SE) 2010-10-26 US disclosed
US-20060287291-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2006-12-21 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 (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-20060287291-A1 Compounds HTR6, HTR1B, HTR1A GAA 1917/4885ALDH1A1 545/4885LMNA 2464/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A GAA 2323/4885ALDH1A1 353/4885LMNA 1896/4885

“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.