SCHEMBL7571748

SCHEMBL7571748

CCOc1c(Nc2cccc(C(F)(F)F)c2)c(=O)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
RAPGEF4 Q8WZA2 1/20 0.51
MAPT P10636 4/20 0.51
GAA P10253 3/20 0.48
ALDH1A1 P00352 2/20 0.46
NPY1R P25929 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALOX12 P18054 1/20 0.45
IDH2 P48735 1/20 0.45
TP53 P04637 1/20 0.44
TDO2 P48775 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
CHEK1 O14757 1/20 0.44
DAPK3 O43293 1/20 0.44

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
SCHEMBL24127368 0.85 POLB (0.65) POLBMAPTGAAMEN1KMT2A
SCHEMBL7093309 0.82 POLB (0.55) POLBRAPGEF4MAPTGAAALDH1A1
SCHEMBL7090620 0.81 POLB (0.47) POLBMAPTGAANPSR1MAPK1
SCHEMBL7571735 0.80 POLB (0.55) POLBRAPGEF4MAPTGAAALDH1A1
SCHEMBL7572017 0.80 POLB (0.55) POLBMAPTGAAALDH1A1MEN1
SCHEMBL6549773 0.78 POLB (0.68) POLBMAPTGAAMEN1KMT2A
SCHEMBL7595610 0.78 MPO (0.38) POLBMAPTGAAALDH1A1MEN1
SCHEMBL19956901 0.77 IDH2 (0.59) POLBRAPGEF4MAPTGAAALDH1A1
SCHEMBL29494990 0.77 POLB (0.55) POLBRAPGEF4MAPTGAAALDH1A1
SCHEMBL22092711 0.77 POLB (0.55) POLBRAPGEF4MAPTGAAALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227428-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20230227428-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20230227428-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
WO-2021253098-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2021-12-23 WO disclosed
EP-1117633-B1 DIAMINOCYCLOBUTENE-3,4-DIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2002-09-18 EP disclosed
US-6413996-B2 CHLORIDE CHANNEL BLOCKERS; FOR TREATMENT OF SICKLE CELL ANAEMIA, BRAIN OEDEMA FOLLOWING ISCHAEMIA OR TUMOURS, DIARRHOEA, HYPERTENSION (DIURETIC), OSTEOPOROSIS, BONE METASTASIZING CANCERS NEUROSEARCH A/S (DK) 2002-07-02 US disclosed
US-20010056092-A1 Diaminocyclobutene-3,4-dione derivatives, their preparation and use ANIONA APS (DK) 2001-12-27 US disclosed
EP-1117633-A1 DIAMINOCYCLOBUTENE-3,4-DIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2001-07-25 EP disclosed
WO-2000020378-A1 DIAMINOCYCLOBUTENE-3,4-DIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-04-13 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 (2 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-20010056092-A1 Diaminocyclobutene-3,4-dione derivatives, their preparation and use HCN4, CLIC1, KCNB1 POLB 2087/4885RAPGEF4 2520/4885MAPT 3683/4885
US-20230227428-A1 AMIDO COMPOUNDS RIPK1, RIPK3, MLKL POLB 3470/4885RAPGEF4 2667/4885MAPT 266/4885

“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.