SCHEMBL5612784

SCHEMBL5612784

O=C(O)c1cc(Br)ccc1OCC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
PTGDR2 Q9Y5Y4 5/20 0.51
ALDH1A1 P00352 5/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
MPO P05164 1/20 0.47
LCLAT1 Q6UWP7 1/20 0.47
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXRA P19793 1/20 0.43
HNF4A P41235 1/20 0.43
MYC P01106 1/20 0.43
NR4A1 P22736 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL20107595 0.89 KDM4E (0.50) KDM4EPTGDR2ALDH1A1CYP1A2CYP2C9
SCHEMBL978291 0.84 KDM4E (0.71) KDM4EALDH1A1CYP1A2CYP2C9POLB
SCHEMBL20521864 0.84 KDM4E (0.51) KDM4EALDH1A1CYP1A2CYP2C9MPO
SCHEMBL1487907 0.83 KDM4E (0.51) KDM4EALDH1A1CYP1A2CYP2C9POLB
SCHEMBL985659 0.83 GAA (0.60) KDM4EPTGDR2ALDH1A1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL10754121 0.83 KDM4E (0.69) KDM4EALDH1A1CYP1A2CYP2C9POLB
SCHEMBL20521847 0.83 KDM4E (0.54) KDM4EALDH1A1CYP1A2CYP2C9LCLAT1
SCHEMBL3876532 0.80 CYP1A2 (0.61) KDM4EALDH1A1CYP1A2CYP2C9POLB
SCHEMBL8522538 0.79 ALDH1A1 (0.47) KDM4EPTGDR2ALDH1A1CYP1A2CYP2C9
SCHEMBL945024 0.79 MRGPRX4 (0.49) KDM4EPTGDR2ALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196197-B2 Process for the preparation of Flecainide, its pharmaceutically acceptable salts and important intermediates thereof APOTEX PHARMACHEM INC. 2007-03-27 US claimed
US-20050059825-A1 Novel process for the preparation of flecainide, its pharmaceutically acceptable salts and important intermediates thereof APOTEX PHARMACHEM INC (CA) 2005-03-17 US claimed
US-12630541-B2 Compounds useful as inhibitors of ALCAT 1 PERENNA PHARMACEUTICALS, INC. (US) 2026-05-19 US disclosed
US-20220089582-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 PERENNA PHARMACEUTICALS, INC. 2022-03-24 US disclosed
US-11208404-B2 Compounds useful as inhibitors of ALCAT 1 PERENNA PHARMACEUTICALS, INC. (US) 2021-12-28 US disclosed
US-20200109136-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 PERENNA PHARMACEUTICALS, INC. 2020-04-09 US disclosed
EP-3601274-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 Perenna Pharmaceuticals, Inc. (US) 2020-02-05 EP disclosed
CN-110709394-A Compounds useful as ALCAT1 inhibitors 中美博瑞纳制药有限公司 2020-01-17 CN disclosed
WO-2018178304-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 PERENNA PHARMACEUTICALS, INC. (US) 2018-10-04 WO disclosed
US-7196197-B2 Process for the preparation of Flecainide, its pharmaceutically acceptable salts and important intermediates thereof APOTEX PHARMACHEM INC. 2007-03-27 US disclosed
US-20050059825-A1 Novel process for the preparation of flecainide, its pharmaceutically acceptable salts and important intermediates thereof APOTEX PHARMACHEM INC (CA) 2005-03-17 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-20220089582-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 ACAT1, ACAT2, SLC33A1 KDM4E 3391/4885PTGDR2 4345/4885ALDH1A1 65/4885
US-20050059825-A1 Novel process for the preparation of flecainide, its pharmaceutically acceptable salts and important intermediates thereof SCN2B, CYP2C9, HCN4 KDM4E 1885/4885PTGDR2 812/4885ALDH1A1 738/4885
US-12630541-B2 Compounds useful as inhibitors of ALCAT 1 LCLAT1, LPCAT1, ACAT2 KDM4E 3151/4885PTGDR2 4035/4885ALDH1A1 511/4885
US-11208404-B2 Compounds useful as inhibitors of ALCAT 1 ACAT1, ACAT2, SLC33A1 KDM4E 3391/4885PTGDR2 4345/4885ALDH1A1 65/4885
US-20200109136-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 ACAT1, ACAT2, SLC33A1 KDM4E 3391/4885PTGDR2 4345/4885ALDH1A1 65/4885

“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.