SCHEMBL4398099

SCHEMBL4398099

O/N=C/c1c(F)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 1/20 0.42
NFE2L2 Q16236 2/20 0.41
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
ACHE P22303 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4398103 1.00 POLB (0.44) POLBSMN1; SMN2LMNAL3MBTL1RAB9A
SCHEMBL20148150 1.00 POLB (0.44) POLBSMN1; SMN2LMNAL3MBTL1RAB9A
Hydrochloric Acid SCHEMBL28114698 0.98 POLB (0.43) POLBSMN1; SMN2LMNAL3MBTL1RAB9A
SCHEMBL19779833 0.85 ACHE (0.43) POLBSMN1; SMN2LMNANFE2L2ALDH1A1
SCHEMBL19900300 0.85 MAOB (0.43) POLBSMN1; SMN2LMNAL3MBTL1RAB9A
SCHEMBL5771963 0.85 NFE2L2 (0.35) POLBSMN1; SMN2LMNAL3MBTL1RAB9A
SCHEMBL5771965 0.85 NFE2L2 (0.35) POLBSMN1; SMN2LMNAL3MBTL1RAB9A
SCHEMBL5302952 0.85 CYP1A2 (0.54) SMN1; SMN2LMNARAB9AALDH1A1MEN1
SCHEMBL19900073 0.85 ACHE (0.43) POLBSMN1; SMN2LMNANFE2L2ALDH1A1
SCHEMBL2164318 0.85 CYP1A2 (0.54) SMN1; SMN2LMNARAB9AALDH1A1MEN1

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116912-A1 COMPOUNDS AND METHODS FOR MODULATING FXR TERNS PHARMACEUTICALS, INC. 2024-04-11 US disclosed
EP-4271377-A1 COMPOUNDS AND METHODS FOR MODULATING FXR Terns Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
CN-116887827-A Compounds and methods for modulating FXR 拓臻制药公司 2023-10-13 CN disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
CN-110845486-B Triazole alcohol derivative and preparation method and application thereof 中国人民解放军第二军医大学 2023-03-21 CN disclosed
WO-2022147448-A1 COMPOUNDS AND METHODS FOR MODULATING FXR TERNS PHARMACEUTICALS, INC. (US) 2022-07-07 WO disclosed
WO-2022147448-A1 COMPOUNDS AND METHODS FOR MODULATING FXR TERNS PHARMACEUTICALS, INC. (US) 2022-07-07 WO disclosed
US-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS ARDELYX, INC. (US) 2021-09-30 US disclosed
US-20040077675-A1 Compounds and methods for inhibiting MRP1 BONJOUKLIAN ROSANNE (US) 2004-04-22 US disclosed
US-6686469-B2 TREATMENT FOR PLANT PROPAGATION MATERIAL FOR PARASITICIDES NOVARTIS ANIMAL HEALTH US, INC. 2004-02-03 US disclosed
US-6670373-B1 Inhibiting resistant neoplasms where the resistance is conferred by multidrug resistance protein; N-3,4,5-trimethoxyphenyl-3-(3-azidomethyl-isoxazolo(4,5-c) -1,2-dihydro-6-chloro-quinolin-2-on-1-yl)phenylacetamide ELI LILLY AND COMPANY 2003-12-30 US disclosed
US-20030195226-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors SIT SING-YUEN (US) 2003-10-16 US disclosed
WO-2003065989-A2 (OXIME)CARBAMOYL FATTY ACID AMIDE HYDROLASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-14 WO disclosed
US-20030004347-A1 Pesticidal pyrimidine-derivatives NOVARTIS ANIMAL HEALTH US, INC. 2003-01-02 US disclosed
EP-1224189-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-07-24 EP disclosed
EP-1175407-A1 PESTICIDAL PYRIMIDINE-DERIVATIVES Syngenta Participations AG (CH) 2002-01-30 EP disclosed
WO-2001027116-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-04-19 WO disclosed
WO-2000066565-A1 PESTICIDAL PYRIMIDINE-DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-11-09 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 (6 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-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 POLB 3462/4885SMN1; SMN2 4791/4885LMNA 4510/4885
US-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS FXR1, FXR2, NR1H4 POLB 3462/4885SMN1; SMN2 4791/4885LMNA 4510/4885
US-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 POLB 979/4885SMN1; SMN2 4456/4885LMNA 2127/4885
US-20030195226-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors FAAH, FAAH2, NCEH1 POLB 2973/4885SMN1; SMN2 1362/4885LMNA 4276/4885
US-20030004347-A1 Pesticidal pyrimidine-derivatives CTRC, HCN1, DDT POLB 3555/4885SMN1; SMN2 1456/4885LMNA 2765/4885
US-20240116912-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, FXR1, FXR2 POLB 3424/4885SMN1; SMN2 4878/4885LMNA 4080/4885

“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.