SCHEMBL21452018

SCHEMBL21452018

N#Cc1ccc(C2(N)CCCCC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
KDM1A O60341 2/20 0.38
CTSC P53634 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
POLB P06746 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PGR P06401 3/20 0.35
TP53 P04637 1/20 0.33

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
SCHEMBL21452474 0.85 ABCC9 (0.40) KDM1AMAOAMAOBCNR2PGR
SCHEMBL21452125 0.78 SLC6A3 (0.43) KDM1AMAOAMAOB
SCHEMBL23595545 0.78 ALDH1A1 (0.38) MAOAMAOBPOLB
SCHEMBL23595865 0.78 SLC6A3 (0.43) KDM1AMAOAMAOB
SCHEMBL23595763 0.78 SLC6A3 (0.43) KDM1AMAOAMAOB
SCHEMBL23579048 0.78 ALDH1A1 (0.38) MAOAMAOBPOLB
SCHEMBL23595854 0.78 ALDH1A1 (0.38) MAOAMAOBPOLB
SCHEMBL27173413 0.78 HDAC4 (0.44)
SCHEMBL23579161 0.78 MEN1 (0.42)
SCHEMBL23579515 0.78 MEN1 (0.42)

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 CYP19A1 386/4885KDM1A 3700/4885CTSC 2367/4885

“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.