SCHEMBL5722844

SCHEMBL5722844

COc1ccc(/C=C/c2ccncc2)c2cc(-c3ccccn3)oc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 6/20 0.49
CYP1A1 P04798 5/20 0.49
CYP1B1 Q16678 5/20 0.49
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE4A P27815 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ERN1 O75460 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL5722853 1.00 MAPT (0.56) MAPTLMNACYP1A2CYP1A1CYP1B1
SCHEMBL5723273 0.85 MAPT (0.60) MAPTLMNACYP1A2CYP1A1CYP1B1
SCHEMBL5723270 0.85 MAPT (0.60) MAPTLMNACYP1A2CYP1A1CYP1B1
Hydrochloric Acid SCHEMBL5723058 0.84 MAPT (0.58) MAPTLMNACYP1A2CYP1A1CYP1B1
Hydrochloric Acid SCHEMBL5723047 0.84 MAPT (0.58) MAPTLMNACYP1A2CYP1A1CYP1B1
SCHEMBL5723162 0.84 MAPT (0.56) MAPTLMNACYP1A2CYP1A1CYP1B1
SCHEMBL5723172 0.84 MAPT (0.56) MAPTLMNACYP1A2CYP1A1CYP1B1
SCHEMBL5722799 0.83 CYP1A2 (0.46) MAPTLMNACYP1A2CYP1A1CYP1B1
SCHEMBL5722807 0.83 CYP1A2 (0.46) MAPTLMNACYP1A2CYP1A1CYP1B1
SCHEMBL5722959 0.83 CYP1A1 (0.57) MAPTCYP1A2CYP1A1CYP1B1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US disclosed
EP-0771794-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 EP 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 MAPT 3600/4885LMNA 1848/4885CYP1A2 103/4885

“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.