SCHEMBL3844719

SCHEMBL3844719

FC(F)(F)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 2/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
AURKA O14965 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PTGS1 P23219 1/20 0.31
DCTPP1 Q9H773 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL34473961 0.80 POLB (0.40) ALDH1A1TSHRPOLBMAPTHTT
SCHEMBL22405796 0.80 ALDH1A1 (0.38) ALDH1A1TSHRPOLBLMNAAURKA
SCHEMBL4367412 0.80 ALDH1A1 (0.34) ALDH1A1TSHRPOLBMAPTAURKA
SCHEMBL27961325 0.78 P2RX7 (0.36) ALDH1A1TSHRPOLBAURKAKDM4E
SCHEMBL27961324 0.77 ALDH1A1 (0.32) ALDH1A1TSHRPOLB
SCHEMBL3852882 0.77 KIF11 (0.43) ALDH1A1TSHRMAPTKDM4E
SCHEMBL25282800 0.76 ALDH1A1 (0.34) ALDH1A1TSHRPOLBAURKACYP11B2
SCHEMBL4369849 0.76 ALDH1A1 (0.35) ALDH1A1TSHRPOLBMAPTCYP11B2
SCHEMBL24112327 0.76 ALDH1A1 (0.34) ALDH1A1TSHRPOLBMAPTAURKA
SCHEMBL3852012 0.76 ALDH1A1 (0.34) ALDH1A1TSHRPOLBMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291523-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2025-05-06 US disclosed
US-20240317726-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO, INC. 2024-09-26 US disclosed
US-11970484-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2024-04-30 US disclosed
EP-3533797-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-12-20 EP disclosed
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 US disclosed
EP-3814331-B9 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-08-09 EP disclosed
EP-3814331-B1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-06-14 EP disclosed
US-11618747-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2023-04-04 US disclosed
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX-FXR GMBH (DE) 2021-05-20 US disclosed
EP-3814331-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY Phenex-FXR GmbH (DE) 2021-05-05 EP disclosed
US-20140235615-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-21 US disclosed
US-20140228352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
US-8722660-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-20130029969-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-31 US disclosed
EP-2540728-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-01-02 EP disclosed
CN-102844320-A Heterocyclic compounds TAKEDA PHARMACEUTICAL 2012-12-26 CN disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP 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 (9 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-20240317726-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NCOA3 ALDH1A1 4262/4885TSHR 413/4885POLB 4749/4885
US-11618747-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 ALDH1A1 3798/4885TSHR 364/4885POLB 4556/4885
US-20130029969-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT ALDH1A1 71/4885TSHR 3819/4885POLB 2206/4885
US-12291523-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 ALDH1A1 4042/4885TSHR 362/4885POLB 4720/4885
US-11970484-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 ALDH1A1 3798/4885TSHR 364/4885POLB 4556/4885
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 ALDH1A1 3993/4885TSHR 424/4885POLB 4648/4885
US-20140228352-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT ALDH1A1 71/4885TSHR 3819/4885POLB 2206/4885
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 ALDH1A1 3993/4885TSHR 424/4885POLB 4648/4885
US-20140235615-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT ALDH1A1 71/4885TSHR 3819/4885POLB 2206/4885

“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.