SCHEMBL19322243

SCHEMBL19322243

COc1cc2c(C(=O)C(F)(F)F)c(C(F)(F)F)[nH]c2cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
HTR2B P41595 1/20 0.39
MTNR1A P48039 2/20 0.37
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MTNR1B P49286 1/20 0.35
HTR1A P08908 1/20 0.34
MPO P05164 1/20 0.34
XDH P47989 1/20 0.34
MAP2 P11137 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL19322238 0.91 PDE3B (0.45) PDE3BPDE3ALMNAL3MBTL1MPO
SCHEMBL19322241 0.88 PDE3B (0.39) NCOA1NCOA3PDE3BPDE3AMTNR1A
SCHEMBL19322244 0.87 PDE3B (0.39) PDE3BPDE3AMTNR1ALMNAL3MBTL1
SCHEMBL19322239 0.86 L3MBTL1 (0.51) PDE3BPDE3AMTNR1ALMNAL3MBTL1
SCHEMBL19322240 0.86 MTNR1A (0.42) PDE3BPDE3AHTR2BMTNR1ALMNA
SCHEMBL17469284 0.83 PDE3B (0.39) PDE3BPDE3ALMNAL3MBTL1MPO
SCHEMBL19317489 0.82 MEN1 (0.34) IDO1TDO2KDM4EMEN1KMT2A
SCHEMBL19322245 0.81 KDM4E (0.40) PDE3BPDE3AKDM4ERAB9AMEN1
SCHEMBL19317487 0.77 MEN1 (0.36) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL19322108 0.77 ALDH1A1 (0.49) MTNR1AL3MBTL1MTNR1BKDM4ETDP1

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-20220031659-A1 NEUROPROTECTIVE COMPOUNDS AND METHODS OF USE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-02-03 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 NCOA1 125/4885NCOA3 35/4885PDE3B 3591/4885
US-20170253580-A1 ORGANIC REACTIONS MYC, CYP2E1, CYP3A4 NCOA1 892/4885NCOA3 696/4885PDE3B 4035/4885
US-20190350902-A1 NEUROPROTECTIVE COMPOUNDS AND METHODS OF USE RTN3, CHRNB3, ARRB1 NCOA1 125/4885NCOA3 35/4885PDE3B 3591/4885
US-10358438-B2 [3+2] annulation to produce 5-membered heterocyclic compounds ACR, MYC, TOP1 NCOA1 1399/4885NCOA3 1076/4885PDE3B 3517/4885
US-20220031659-A1 NEUROPROTECTIVE COMPOUNDS AND METHODS OF USE SMN1; SMN2, BDNF, PYGB NCOA1 2895/4885NCOA3 2363/4885PDE3B 281/4885

“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.