SCHEMBL17469281

SCHEMBL17469281

COc1cc(I)c2[nH]c(C(F)(F)F)c(C(=O)C(F)(F)F)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
DYRK1A Q13627 2/20 0.33
NQO2 P16083 1/20 0.33
CFTR P13569 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
PABPC1 P11940 1/20 0.30
CRHBP P24387 1/20 0.30
KMT2A Q03164 1/20 0.30
CRHR2 Q13324 1/20 0.30
MTNR1A P48039 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30

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
SCHEMBL17469282 0.88 NQO2 (0.45) BCHENQO2PDE3BPDE3AKDM4E
SCHEMBL17469279 0.86 ENPP3 (0.38) BCHEDYRK1ANQO2CFTRHDAC6
SCHEMBL17469274 0.86 CYP3A4 (0.38) BCHEDYRK1ANQO2CFTRHDAC6
SCHEMBL17469285 0.86 CFTR (0.41) BCHEDYRK1ANQO2CFTRHDAC6
SCHEMBL17469275 0.85 BCHE (0.36) BCHEDYRK1ANQO2HDAC6PDE3B
SCHEMBL19317479 0.83
SCHEMBL19322129 0.82 GAA (0.40) BCHECFTRKDM4EMEN1MAPT
SCHEMBL17469286 0.81 BCHE (0.36) BCHEDYRK1ANQO2PDE3BPDE3A
SCHEMBL17469276 0.80 MTNR1A (0.43) BCHENQO2HDAC6KDM4EMTNR1A
SCHEMBL19317480 0.78 PDE3B (0.36) NQO2PDE3BPDE3AKDM4EMEN1

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
US-11147795-B2 Neuroprotective compounds and methods of use ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-10-19 US disclosed
US-20190350902-A1 NEUROPROTECTIVE COMPOUNDS AND METHODS OF USE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2019-11-21 US disclosed
US-10358438-B2 [3+2] annulation to produce 5-membered heterocyclic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2019-07-23 US disclosed
US-20170253580-A1 ORGANIC REACTIONS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-09-07 US disclosed
WO-2016014426-A1 ORGANIC REACTIONS THE ARIZONA BOARD OF REGENTS (US) 2016-01-28 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 (4 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-11147795-B2 Neuroprotective compounds and methods of use RTN3, CHRNB3, ARRB1 BCHE 1054/4885DYRK1A 1642/4885NQO2 1359/4885
US-20170253580-A1 ORGANIC REACTIONS MYC, CYP2E1, CYP3A4 BCHE 1609/4885DYRK1A 3353/4885NQO2 349/4885
US-20190350902-A1 NEUROPROTECTIVE COMPOUNDS AND METHODS OF USE RTN3, CHRNB3, ARRB1 BCHE 1054/4885DYRK1A 1642/4885NQO2 1359/4885
US-10358438-B2 [3+2] annulation to produce 5-membered heterocyclic compounds ACR, MYC, TOP1 BCHE 2514/4885DYRK1A 4019/4885NQO2 424/4885

“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.