SCHEMBL21452402

SCHEMBL21452402

COc1cccc(C2(N=[N+]=[N-])CCCCC2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.39
SLC6A2 P23975 6/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KDM1A O60341 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SLC22A1 O15245 3/20 0.37
OPRM1 P35372 3/20 0.37
SIGMAR1 Q99720 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL21452191 0.87 GRIN1 (0.40) GRIN1GRIN2AGRIN2BALDH1A1
SCHEMBL21452163 0.84 SLC6A9 (0.38) SLC6A2GRIN1GRIN2AGRIN2B
SCHEMBL21452103 0.83 HDAC4 (0.44) SLC6A4GRIN1GRIN2AOPRM1OPRD1
SCHEMBL17982796 0.79 KDM1A (0.47) SLC6A4SLC6A2SLC6A3KDM1ASLC22A1
SCHEMBL18767178 0.78 KDM1A (0.46) SLC6A4SLC6A2SLC6A3KDM1ASLC22A1
SCHEMBL21452583 0.78 PGR (0.36) SLC6A4SLC6A2
SCHEMBL21452130 0.76 GRIN1 (0.36) SLC6A4GRIN1GRIN2AGRIN2BALDH1A1
SCHEMBL11308104 0.76 SLC6A4 (0.44) SLC6A4SLC6A2GRIN1GRIN2AGRIN2B
SCHEMBL20934577 0.75 KDM1A (0.46) SLC6A4SLC6A2GRIN1GRIN2AGRIN2B
SCHEMBL21001930 0.75 SLC6A4 (0.46) SLC6A4SLC6A2GRIN1GRIN2AGRIN2B

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 SLC6A4 64/4885SLC6A2 41/4885GRIN1 1281/4885

“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.