SCHEMBL21452499

SCHEMBL21452499

[N-]=[N+]=NC1(c2ccc(F)cc2C(F)(F)F)CCCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.38
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL21452473 0.80 HDAC1 (0.40) PDE2AHDAC6
SCHEMBL21452498 0.75 HDAC4 (0.35) HDAC4HDAC6
SCHEMBL21452500 0.75 KDM1A (0.35) HDAC4HDAC6
SCHEMBL21452183 0.75 PDE2A (0.45) PDE2A
SCHEMBL21452538 0.74 SLC22A12 (0.34) PDE2A
SCHEMBL21452013 0.73 CYP11B2 (0.35) PDE2A
SCHEMBL19688700 0.69 GRIN1 (0.51) HDAC4
SCHEMBL21452130 0.69 GRIN1 (0.36)
SCHEMBL21452163 0.68 SLC6A9 (0.38) PDE2AHDAC6
SCHEMBL21451913 0.68 HDAC4 (0.49) HDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JIANHE PHARMACEUTICAL & TECHNOLOGY CO. LTD. (CN) 2021-06-10 US disclosed
EP-3778579-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jianhe Pharmaceutical & Technology Co. Ltd. (CN) 2021-02-17 EP disclosed
WO-2019192602-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海键合医药科技有限公司 2019-10-10 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 (1 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-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT PDE2A 4338/4885HDAC4 2874/4885HDAC6 3774/4885

“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.