SCHEMBL21452013

SCHEMBL21452013

N#Cc1ccc(C2(N=[N+]=[N-])CCCCC2=O)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.35
KDM1A O60341 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP19A1 P11511 1/20 0.32
PGR P06401 4/20 0.32
HSD11B1 P28845 1/20 0.31
PDE2A O00408 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
SCHEMBL21452253 0.81 CYP19A1 (0.36) CYP11B2CYP19A1PGR
SCHEMBL21452583 0.80 PGR (0.36) PGRHSD11B1
SCHEMBL21452011 0.75 CYP11B2 (0.38) CYP11B2KDM1ACYP11B1CYP19A1PGR
SCHEMBL21452012 0.75 KDM1A (0.42) CYP11B2KDM1ACYP11B1CYP19A1PGR
SCHEMBL21452499 0.73 PDE2A (0.38) PDE2A
SCHEMBL21452538 0.70 SLC22A12 (0.34) PDE2A
SCHEMBL21452473 0.69 HDAC1 (0.40) PDE2A
SCHEMBL19688700 0.69 GRIN1 (0.51)
SCHEMBL21452501 0.66 PDE7A (0.36) KDM1A
SCHEMBL21452183 0.66 PDE2A (0.45) KDM1AHSD11B1PDE2A

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 CYP11B2 18/4885KDM1A 3700/4885CYP11B1 15/4885

“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.