SCHEMBL17469282

SCHEMBL17469282

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.45
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
BCHE P06276 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TUBB1 Q9H4B7 5/20 0.35
TUBB4A P04350 4/20 0.35
TUBB P07437 4/20 0.35
TUBA3C P0DPH7 4/20 0.35
TUBA1B P68363 4/20 0.35
TUBA4A P68366 4/20 0.35
TUBB4B P68371 4/20 0.35
TUBB3 Q13509 4/20 0.35
TUBB2A Q13885 4/20 0.35
TUBB8 Q3ZCM7 4/20 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
SCHEMBL17469286 0.89 BCHE (0.36) NQO2MTNR1AMTNR1BPDE3BPDE3A
SCHEMBL17469281 0.88 BCHE (0.36) NQO2MTNR1APDE3BPDE3ABCHE
SCHEMBL17469279 0.87 ENPP3 (0.38) NQO2MTNR1AMTNR1BPDE3BPDE3A
SCHEMBL19317480 0.87 PDE3B (0.36) NQO2PDE3BPDE3ASMN1; SMN2TUBB1
SCHEMBL17469274 0.87 CYP3A4 (0.38) NQO2MTNR1AMTNR1BPDE3BPDE3A
SCHEMBL17469285 0.87 CFTR (0.41) NQO2MTNR1APDE3BPDE3ABCHE
SCHEMBL17469275 0.86 BCHE (0.36) NQO2PDE3BPDE3ABCHECYP3A4
SCHEMBL19322129 0.84 GAA (0.40) BCHECYP3A4TUBB1TUBB4ATUBB
SCHEMBL17469276 0.81 MTNR1A (0.43) NQO2MTNR1AMTNR1BBCHESMN1; SMN2
SCHEMBL19322108 0.77 ALDH1A1 (0.49) MTNR1AMTNR1BBCHEUSP2MAPK1

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 NQO2 1359/4885MTNR1A 365/4885MTNR1B 741/4885
US-20170253580-A1 ORGANIC REACTIONS MYC, CYP2E1, CYP3A4 NQO2 349/4885MTNR1A 3861/4885MTNR1B 3609/4885
US-20190350902-A1 NEUROPROTECTIVE COMPOUNDS AND METHODS OF USE RTN3, CHRNB3, ARRB1 NQO2 1359/4885MTNR1A 365/4885MTNR1B 741/4885
US-10358438-B2 [3+2] annulation to produce 5-membered heterocyclic compounds ACR, MYC, TOP1 NQO2 424/4885MTNR1A 4370/4885MTNR1B 3913/4885

“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.