SCHEMBL4371245

SCHEMBL4371245

Cn1nc(CO[N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.43
SORT1 Q99523 2/20 0.43
KDM4E B2RXH2 2/20 0.43
PTGS2 P35354 2/20 0.37
CHRM3 P20309 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
NAMPT P43490 1/20 0.32
PTPN1 P18031 1/20 0.32
PKM P14618 1/20 0.31
SRD5A2 P31213 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CDK2 P24941 1/20 0.31
PHGDH O43175 1/20 0.31

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
SCHEMBL22286724 0.80 KDM4E (0.49) GRNSORT1KDM4ECHRM3CA12
SCHEMBL26105967 0.77 KDM4E (0.43) GRNSORT1KDM4ECHRM3CA12
SCHEMBL8508457 0.76 GRN (0.55) GRNSORT1KDM4ECA12CA1
SCHEMBL26964715 0.75 KDM4E (0.44) GRNSORT1KDM4ECHRM3CA12
SCHEMBL25346661 0.75 GRN (0.47) GRNSORT1KDM4ECHRM3CA12
SCHEMBL343503 0.74 GRN (0.53) GRNSORT1KDM4ECA12CA1
SCHEMBL15932104 0.73 SRD5A2 (0.47) GRNSORT1KDM4ECHRM3CA12
SCHEMBL29148534 0.73 GRN (0.46) GRNSORT1KDM4ECHRM3CA12
Lithium SCHEMBL30645663 0.73 GRN (0.46) GRNSORT1KDM4ECHRM3CA12
SCHEMBL26964751 0.73 ALDH1A1 (0.48) GRNSORT1KDM4ECHRM3CA12

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-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 US claimed
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 US 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-20070021427-A1 Novel tricyclic derivatives and their use NFATC1, IL2, CCL2 GRN 577/4885SORT1 3546/4885KDM4E 3815/4885

“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.