SCHEMBL21899367

SCHEMBL21899367

CN(C(=O)c1ccc2c(c1)OC(F)(F)O2)c1cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2Br)c1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KIT P10721 11/20 0.36
BRAF P15056 11/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
CSNK1E P49674 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32

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
SCHEMBL21899383 0.95 HTT (0.34) HTTNPSR1KITBRAFCYP1A2
SCHEMBL21899365 0.95 CYP1A2 (0.35) HTTNPSR1KITBRAFCYP1A2
SCHEMBL23082529 0.93 CSNK1E (0.34) HTTNPSR1KITBRAFCYP1A2
SCHEMBL21965340 0.92 HTT (0.42) HTTNPSR1KITBRAFCYP1A2
SCHEMBL28523238 0.91 CSNK1E (0.33) HTTNPSR1KITBRAFCYP1A2
SCHEMBL21965335 0.90 HTT (0.36) HTTNPSR1KITBRAFCYP1A2
SCHEMBL1767229 0.85 KDM4E (0.36) SMN1; SMN2RAB9APOLBMAPT
SCHEMBL23082573 0.85 NPSR1 (0.36) HTTNPSR1KITBRAFCYP1A2
SCHEMBL28992866 0.85 CTNNB1 (0.32) CYP1A2CYP2C9CYP2C19SMN1; SMN2RAB9A
SCHEMBL1766774 0.84 KCNJ11 (0.36) BRAFSMN1; SMN2RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115872901-A Imine compound and application thereof 沈阳中化农药化工研发有限公司 2023-03-31 CN disclosed
EP-4026831-A1 PIPERIC ACID DERIVATIVE AND APPLICATION THEREOF Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) 2022-07-13 EP disclosed
US-20220202011-A1 PIPERIC ACID DERIVATIVE AND APPLICATION THEREOF JIANGSU YANGNONG CHEMICAL CO., LTD (CN) 2022-06-30 US disclosed
CN-109206397-B Piperamic acid derivative and preparation and application thereof 沈阳中化农药化工研发有限公司 2022-06-07 CN disclosed
EP-3647305-B1 PIPERIC ACID DERIVATIVE AND PREPARATION AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2022-02-23 EP disclosed
EP-3647305-B1 PIPERIC ACID DERIVATIVE AND PREPARATION AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2022-02-23 EP disclosed
WO-2021043115-A1 PIPERIC ACID DERIVATIVE AND APPLICATION THEREOF 沈阳中化农药化工研发有限公司 2021-03-11 WO disclosed
US-20200181107-A1 PIPERONYLIC ACID DERIVATIVE AND PREPARATION AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-06-11 US disclosed
EP-3647305-A1 PIPERIC ACID DERIVATIVE AND PREPARATION AND APPLICATION THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2020-05-06 EP disclosed
EP-3647305-A1 PIPERIC ACID DERIVATIVE AND PREPARATION AND APPLICATION THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2020-05-06 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 (2 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-20220202011-A1 PIPERIC ACID DERIVATIVE AND APPLICATION THEREOF ALDH7A1, CAT, PIR HTT 4187/4885NPSR1 2045/4885KIT 1994/4885
US-20200181107-A1 PIPERONYLIC ACID DERIVATIVE AND PREPARATION AND APPLICATION THEREOF CYP51A1, DDT, PIR HTT 3712/4885NPSR1 2578/4885KIT 2890/4885

“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.