SCHEMBL3799258

SCHEMBL3799258

COc1c2cc[c]cc2nn1C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MPO P05164 11/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 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
SCHEMBL1100558 0.77 CHRM4 (0.31)
SCHEMBL22289740 0.75
SCHEMBL20132949 0.74 MPO (0.61) MPOKDM4EALDH1A1MAPTHPGD
SCHEMBL3344379 0.69 SMN1; SMN2 (0.32) MAPT
SCHEMBL27243812 0.68
SCHEMBL15515411 0.68 IDO1 (0.31) KDM4EALDH1A1
SCHEMBL15516205 0.66 MPO (0.31) MPO
SCHEMBL15515474 0.66
SCHEMBL2481184 0.66 CHRM4 (0.31)
SCHEMBL1099775 0.66 ADORA2A (0.48) KDM4EALDH1A1MAPT

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
WO-2009051910-A1 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 WO claimed
US-8389736-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-05 US disclosed
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-10-28 US disclosed
WO-2009051910-A1 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 WO disclosed
WO-2009051909-A1 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR CELLULAR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 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 (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-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof CFTR, ABCC5, ABCB11 MPO 2584/4885KDM4E 3699/4885ALDH1A1 3083/4885

“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.