Sugi Predict

Sugi Predict / Compounds / SCHEMBL17823660

SCHEMBL17823660

SCHEMBL17823660

CC(=O)c1ccc(C(F)(F)F)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 1/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ JUN P05412 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ NNMT P40261 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ VNN1 O95497 1/20 0.30
▸ SYK P43405 1/20 0.30
▸ NR4A1 P22736 1/20 0.30
▸ NR4A2 P43354 1/20 0.30
▸ NR4A3 Q92570 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
SCHEMBL30505631 0.82 ASPH (0.38) TRPV4ALDH1A1P2RX7KMT2AJUN
SCHEMBL1111665 0.82 ASPH (0.38) TRPV4ALDH1A1P2RX7KMT2AJUN
SCHEMBL29852167 0.80 KMT2A (0.50) TRPV4P2RX7KMT2AJUNNFKB1
SCHEMBL13165482 0.80 KCNJ1 (0.52) KCNJ1ALDH1A1KMT2ANNMTLMNA
SCHEMBL31312414 0.79 MAPK1 (0.43) ALDH1A1KMT2ANNMT
SCHEMBL14903857 0.79 JUN (0.41) ALDH1A1P2RX7JUNNFKB1NFKB2
SCHEMBL1111621 0.75 CYP1A2 (0.49) ALDH1A1KMT2ALMNACYP1A2GAA
SCHEMBL3295796 0.75 TRPV4 (0.48) TRPV4ALDH1A1P2RX7KMT2ALMNA
SCHEMBL38654843 0.73 CYP2C19 (0.38) KCNJ1ALDH1A1CNR2NNMT
SCHEMBL19360076 0.72 KCNJ1 (0.43) KCNJ1ALDH1A1NNMT

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 41 patents — showing the first 20. 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-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
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
EP-3302484-B1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-16 — — EP disclosed
US-20180093980-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES EVOTEC AG (DE) 2018-04-05 — — 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
US-20180072713-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES EVOTEC AG (DE) 2018-03-15 — — 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-2016196071-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 — — WO disclosed
WO-2016196071-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 — — WO disclosed
WO-2016191935-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 — — WO 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 (4 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 KCNJ1 441/4885TRPV4 798/4885ALDH1A1 71/4885
US-20230053411-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 KCNJ1 441/4885TRPV4 798/4885ALDH1A1 71/4885
US-11142523-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 KCNJ1 441/4885TRPV4 798/4885ALDH1A1 71/4885
US-20180072713-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 KCNJ1 441/4885TRPV4 798/4885ALDH1A1 71/4885

“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.