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SCHEMBL15544726

SCHEMBL15544726

O=[N+]([O-])c1cc(Br)cc(S(F)(F)(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ ACP1 P24666 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ESPL1 Q14674 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ VCAM1 P19320 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33

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
SCHEMBL9312899 0.86 CYP19A1 (0.54) CYP19A1ALDH1A1CYP3A4TSHRMEN1
SCHEMBL816365 0.86 CYP19A1 (0.48) CYP19A1ALDH1A1CYP3A4TSHRMEN1
SCHEMBL219410 0.79 CYP19A1 (0.55) CYP19A1ALDH1A1CYP3A4ACP1TSHR
SCHEMBL1026447 0.79 CYP19A1 (0.62) CYP19A1ALDH1A1CYP3A4ACP1TSHR
SCHEMBL15545359 0.78 CYP19A1 (0.41) CYP19A1ALDH1A1CYP3A4TSHRMEN1
SCHEMBL6863360 0.76 ALDH1A1 (0.46) CYP19A1ALDH1A1CYP3A4TSHR
Benzene SCHEMBL27782128 0.74 CYP19A1 (0.56) CYP19A1ALDH1A1CYP3A4ACP1TSHR
Nitrogen SCHEMBL27917117 0.74 CYP19A1 (0.56) CYP19A1ALDH1A1CYP3A4ACP1TSHR
SCHEMBL28967021 0.74 XDH (0.39) CYP19A1ALDH1A1TSHRMEN1KMT2A
SCHEMBL28967049 0.74 CYP3A4 (0.47) CYP19A1ALDH1A1CYP3A4TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234226-B2 Compounds as nuclear transport modulators and uses thereof XWPharma Ltd. (KY) 2025-02-25 — — US disclosed
EP-3802501-B1 COMPOUNDS AS NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XWPHARMA LTD (KY) 2024-02-28 — — EP disclosed
US-20230303530-A1 COMPOUNDS AS NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XWPharma Ltd. (KY) 2023-09-28 — — US disclosed
US-11767313-B2 Compounds as nuclear transport modulators and uses thereof XWPharma Ltd. (KY) 2023-09-26 — — US disclosed
CN-115089586-A Compounds as nuclear transport modulators and uses thereof 凯瑞康宁生物工程（武汉）有限公司 2022-09-23 — — CN disclosed
CN-112566902-B Compounds as nuclear transport modulators and uses thereof 凯瑞康宁生物工程（武汉）有限公司 2022-06-17 — — CN disclosed
EP-3802501-A1 COMPOUNDS AS NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XW Laboratories Inc. (KY) 2021-04-14 — — EP disclosed
CN-112566902-A Compounds as nuclear transport modulators and uses thereof 凯瑞康宁生物工程（武汉）有限公司 2021-03-26 — — CN disclosed
US-20210087177-A1 COMPOUNDS AS NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XWPharma Ltd. (KY) 2021-03-25 — — US disclosed
WO-2019232724-A1 COMPOUNDS AS NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XW LABORATORIES, INC. (CN) 2019-12-12 — — WO disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 — — US disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 — — US disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 — — US disclosed
EP-2870143-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. Hoffmann-La Roche AG (CH) 2015-05-13 — — EP disclosed
CN-104428289-A Triazole compounds as antivirals HOFFMANN LA ROCHE 2015-03-18 — — CN disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 — — US disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 — — US disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 — — US disclosed
WO-2014006066-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-09 — — WO disclosed
WO-2014006066-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-09 — — 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-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CYP19A1 1667/4885ALDH1A1 222/4885CYP3A4 241/4885
US-12234226-B2 Compounds as nuclear transport modulators and uses thereof XPOT, XPO1, XPO5 CYP19A1 2304/4885ALDH1A1 3743/4885CYP3A4 2547/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CYP19A1 1667/4885ALDH1A1 222/4885CYP3A4 241/4885
US-11767313-B2 Compounds as nuclear transport modulators and uses thereof XPOT, XPO1, XPO5 CYP19A1 2304/4885ALDH1A1 3743/4885CYP3A4 2547/4885
US-20230303530-A1 COMPOUNDS AS NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPOT, XPO1, XPO5 CYP19A1 2304/4885ALDH1A1 3743/4885CYP3A4 2547/4885
US-20210087177-A1 COMPOUNDS AS NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPOT, XPO1, XPO5 CYP19A1 2304/4885ALDH1A1 3743/4885CYP3A4 2547/4885

“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.