SCHEMBL17823701

SCHEMBL17823701

CC(N)c1nnc(C(F)(F)F)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FFAR2 O15552 1/20 0.32
PKM P14618 1/20 0.32
S1PR2 O95136 1/20 0.30
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
HIF1A Q16665 1/20 0.30
POLB P06746 1/20 0.30
MPI P34949 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
SCHEMBL19962274 1.00 ALDH1A1 (0.48) ALDH1A1CA1CA2CA4CA5A
Hydrochloric Acid SCHEMBL17823608 0.98 ALDH1A1 (0.47) ALDH1A1CA1CA2CA4CA5A
Hydrochloric Acid SCHEMBL28484958 0.98 ALDH1A1 (0.47) ALDH1A1CA1CA2CA4CA5A
SCHEMBL2622445 0.83 ALDH1A1 (0.46) ALDH1A1CA1CA2CA4CA5A
SCHEMBL22966529 0.81 CA1 (0.39) CA1CA2CA4CA5ACA5B
SCHEMBL11494298 0.72 P2RX3 (0.40) ALDH1A1CA1CA2CA4CA5A
SCHEMBL31339479 0.71 ALDH1A1 (0.65) ALDH1A1CA1CA2CA4CA5A
SCHEMBL7805145 0.71 ALDH1A1 (0.43) ALDH1A1CA1CA2CA4CA5A
SCHEMBL17824117 0.70 P2RX3 (0.42) ALDH1A1LMNAHTTNPC1RAB9A
SCHEMBL24073941 0.69

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 18 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
CN-110256418-B 1, 3-thiazol-2-yl substituted benzamides 拜耳公司 2023-01-20 CN disclosed
EP-3587417-B9 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AG (DE) 2022-03-30 EP disclosed
EP-3587417-B1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AG (DE) 2022-01-05 EP 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
CN-107207507-B 1, 3-thiazol-2-yl substituted benzamides 拜耳公司 2020-11-06 CN 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 71/4885CA1 1570/4885CA2 1375/4885
US-20230053411-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 ALDH1A1 71/4885CA1 1570/4885CA2 1375/4885
US-20180118731-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 ALDH1A1 71/4885CA1 1570/4885CA2 1375/4885
US-20190185466-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 ALDH1A1 71/4885CA1 1570/4885CA2 1375/4885
US-10202369-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 ALDH1A1 71/4885CA1 1570/4885CA2 1375/4885
US-10472354-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 ALDH1A1 71/4885CA1 1570/4885CA2 1375/4885
US-10174016-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 ALDH1A1 71/4885CA1 1570/4885CA2 1375/4885
US-10183937-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 ALDH1A1 71/4885CA1 1570/4885CA2 1375/4885
US-11142523-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 ALDH1A1 71/4885CA1 1570/4885CA2 1375/4885
US-20180072713-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 ALDH1A1 71/4885CA1 1570/4885CA2 1375/4885
US-20200131169-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 ALDH1A1 71/4885CA1 1570/4885CA2 1375/4885

“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.