SCHEMBL17823927

SCHEMBL17823927

O=C(O)C(F)(F)c1ncc(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ASPH Q12797 1/20 0.31
▸ ABHD6 Q9BV23 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL161907 0.81 AGBL2 (0.34) KDM4EHCAR2ASPH
SCHEMBL17824046 0.76 ALDH1A1 (0.33) ALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL20771264 0.76 NAPRT (0.38) ALDH1A1KDM4EL3MBTL1TSHRSMN1; SMN2
SCHEMBL15118633 0.75 KDM4E (0.39) ALDH1A1KDM4EPOLBHCAR2TSHR
SCHEMBL3394893 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EATML3MBTL1TSHR
SCHEMBL19962267 0.74 FOS (0.40) ALDH1A1KDM4EL3MBTL1POLBTSHR
SCHEMBL1169515 0.74 HTT (0.35) ALDH1A1KDM4E
SCHEMBL15612623 0.69 PTGDR2 (0.39) ALDH1A1KDM4EPOLBHCAR2ASPH
SCHEMBL16416035 0.69 KDM4E (0.35) KDM4E
SCHEMBL16793394 0.69 KDM4E (0.35) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053411-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 — — US disclosed
US-11142523-B2 1,3-thiazol-2-yl substituted benzamides BAYER AKTIENGESELLSCHAFT (DE) 2021-10-12 — — US disclosed
EP-3230281-B1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AG (DE) 2021-05-26 — — EP disclosed
US-20200131169-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-30 — — US disclosed
US-10472354-B2 1,3-thiazol-2-yl substituted benzamides BAYER AKTIENGESELLSCHAFT (DE) 2019-11-12 — — US disclosed
US-20190185466-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2019-06-20 — — US disclosed
US-10202369-B2 1,3-thiazol-2-yl substituted benzamides BAYER AKTIENGESELLSCHAFT (DE) 2019-02-12 — — US disclosed
US-10183937-B2 1,3-thiazol-2-yl substituted benzamides BAYER AKTIENGESELLSCHAFT (DE) 2019-01-22 — — US disclosed
US-10174016-B2 1,3-thiazol-2-yl substituted benzamides BEYER AKTIENGESELLSCHAFT (DE) 2019-01-08 — — US disclosed
US-20180118731-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2018-05-03 — — US disclosed
US-20180093980-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES EVOTEC AG (DE) 2018-04-05 — — US disclosed
US-20180072713-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES EVOTEC AG (DE) 2018-03-15 — — US disclosed
EP-3230281-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES Bayer Aktiengesellschaft (DE) 2017-10-18 — — EP disclosed
WO-2016091776-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES EVOTEC AG (DE) 2016-06-16 — — 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 (11 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-20180093980-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 ALDH1A1 71/4885KDM4E 2654/4885ATM 3288/4885
US-20230053411-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 ALDH1A1 71/4885KDM4E 2654/4885ATM 3288/4885
US-20180118731-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 ALDH1A1 71/4885KDM4E 2654/4885ATM 3288/4885
US-20190185466-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 ALDH1A1 71/4885KDM4E 2654/4885ATM 3288/4885
US-10202369-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 ALDH1A1 71/4885KDM4E 2654/4885ATM 3288/4885
US-10472354-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 ALDH1A1 71/4885KDM4E 2654/4885ATM 3288/4885
US-10174016-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 ALDH1A1 71/4885KDM4E 2654/4885ATM 3288/4885
US-10183937-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 ALDH1A1 71/4885KDM4E 2654/4885ATM 3288/4885
US-11142523-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 ALDH1A1 71/4885KDM4E 2654/4885ATM 3288/4885
US-20180072713-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 ALDH1A1 71/4885KDM4E 2654/4885ATM 3288/4885
US-20200131169-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 ALDH1A1 71/4885KDM4E 2654/4885ATM 3288/4885

“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.

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