SCHEMBL17469276

SCHEMBL17469276

COc1cc(-c2ccccc2)c2[nH]c(C(F)(F)F)c(C(=O)C(F)(F)F)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
HDAC6 Q9UBN7 1/20 0.40
TUBB4A P04350 4/20 0.38
TUBB P07437 4/20 0.38
TUBA3C P0DPH7 4/20 0.38
TUBA1B P68363 4/20 0.38
TUBA4A P68366 4/20 0.38
TUBB4B P68371 4/20 0.38
TUBB3 Q13509 4/20 0.38
TUBB2A Q13885 4/20 0.38
TUBB8 Q3ZCM7 4/20 0.38
TUBA3E Q6PEY2 4/20 0.38
TUBA1A Q71U36 4/20 0.38
TUBA1C Q9BQE3 4/20 0.38
TUBB6 Q9BUF5 4/20 0.38
TUBB2B Q9BVA1 4/20 0.38
TUBB1 Q9H4B7 4/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL19317483 0.85 DHODH (0.38) HDAC6ALDH1A1METAP2KDM4EHPGD
SCHEMBL17469274 0.81 CYP3A4 (0.38) MTNR1AMTNR1BHDAC6ALDH1A1KDM4E
SCHEMBL17469279 0.81 ENPP3 (0.38) MTNR1AMTNR1BHDAC6TUBB4ATUBB
SCHEMBL17469282 0.81 NQO2 (0.45) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL17469285 0.81 CFTR (0.41) MTNR1AHDAC6TUBB4ATUBBTUBA3C
SCHEMBL17469281 0.80 BCHE (0.36) MTNR1AHDAC6TUBB4ATUBBTUBA3C
SCHEMBL17469275 0.80 BCHE (0.36) HDAC6TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19322129 0.78 GAA (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19322245 0.77 KDM4E (0.40) HDAC6TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17469286 0.76 BCHE (0.36) MTNR1AMTNR1BALDH1A1KDM4EHPGD

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 MTNR1A 365/4885MTNR1B 741/4885HDAC6 611/4885
US-20170253580-A1 ORGANIC REACTIONS MYC, CYP2E1, CYP3A4 MTNR1A 3861/4885MTNR1B 3609/4885HDAC6 2895/4885
US-20190350902-A1 NEUROPROTECTIVE COMPOUNDS AND METHODS OF USE RTN3, CHRNB3, ARRB1 MTNR1A 365/4885MTNR1B 741/4885HDAC6 611/4885
US-10358438-B2 [3+2] annulation to produce 5-membered heterocyclic compounds ACR, MYC, TOP1 MTNR1A 4370/4885MTNR1B 3913/4885HDAC6 982/4885

“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.