SCHEMBL3472227

SCHEMBL3472227

FC(F)(F)c1cc(-c2ccc(Br)cc2)[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
KDM4E B2RXH2 1/20 0.45
TRPV1 Q8NER1 1/20 0.43
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRAF P15056 1/20 0.39
ASIC1 P78348 1/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
AXL P30530 1/20 0.38
KEAP1 Q14145 1/20 0.38
TNIK Q9UKE5 1/20 0.38
TP53 P04637 1/20 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
SCHEMBL6331111 0.84 AXL (0.54) MEN1KMT2AKDM4ECDK2NPC1
SCHEMBL13024368 0.84 TNIK (0.47) KMT2AALDH1A1KDM4ETRPV1CDK1
SCHEMBL22353107 0.82 ALDH1A1 (0.44) MEN1KMT2AUSP2ALDH1A1CDK1
SCHEMBL5352040 0.82 SMN1; SMN2 (0.56) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL14624000 0.81 RAB9A (0.55) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4744555 0.80 KIF11 (0.44) RAB9A
SCHEMBL9051628 0.79 ALDH1A1 (0.61) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL9053060 0.78 TP53 (0.42) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13024370 0.78 MAPT (0.61) MEN1KMT2AUSP2ALDH1A1KDM4E
SCHEMBL28850934 0.78 LOXL2 (0.44) MEN1KMT2AUSP2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 WO disclosed
US-20230212127-A1 LIVER X RECEPTOR (LXR) MODULATORS ELLORA THERAPEUTICS, INC. 2023-07-06 US disclosed
US-20230212127-A1 LIVER X RECEPTOR (LXR) MODULATORS ELLORA THERAPEUTICS, INC. 2023-07-06 US disclosed
US-20220388963-A1 LIVER X RECEPTOR (LXR) MODULATORS ELLORA THERAPEUTICS INC (US) 2022-12-08 US disclosed
US-20220106274-A1 LIVER X RECEPTOR (LXR) MODULATORS ELLORA THERAPEUTICS, INC. 2022-04-07 US disclosed
US-11034657-B2 Liver X receptor (LXR) modulators ELLORA THERAPEUTICS, INC. (US) 2021-06-15 US disclosed
US-20210101895-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS RALEXAR THERAPEUTICS, INC. 2021-04-08 US disclosed
EP-3041835-B1 LIVER X RECEPTOR (LXR) MODULATORS ELLORA THERAPEUTICS INC (US) 2020-04-08 EP disclosed
WO-2013130892-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS ANAYADERM, INC. (US) 2013-09-06 WO disclosed
WO-2013130892-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS ANAYADERM, INC. (US) 2013-09-06 WO disclosed
CN-101248048-B Imidazole based LXR modulators EXELIXIS INC 2013-08-28 CN disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
CN-101248048-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 CN disclosed
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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 (7 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-20220106274-A1 LIVER X RECEPTOR (LXR) MODULATORS NR1H2, NR1H3, NR1H4 MEN1 4804/4885KMT2A 2885/4885USP2 2912/4885
US-20210101895-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS NR1H2, NR1H3, RXRG MEN1 4504/4885KMT2A 3587/4885USP2 2666/4885
US-11034657-B2 Liver X receptor (LXR) modulators NR1H2, NR1H3, NR1H4 MEN1 4804/4885KMT2A 2885/4885USP2 2912/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 MEN1 2422/4885KMT2A 1346/4885USP2 3639/4885
US-20220388963-A1 LIVER X RECEPTOR (LXR) MODULATORS NR1H2, NR1H3, NR1H4 MEN1 4804/4885KMT2A 2885/4885USP2 2912/4885
US-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 MEN1 3666/4885KMT2A 2663/4885USP2 4131/4885
US-20230212127-A1 LIVER X RECEPTOR (LXR) MODULATORS NR1H2, NR1H3, NR1H4 MEN1 4797/4885KMT2A 2875/4885USP2 2777/4885

“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.