SCHEMBL21148536

SCHEMBL21148536

O=C(CCCc1cc2ccccc2o1)NO

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.60
MMP9 P14780 1/20 0.60
ADAM17 P78536 1/20 0.60
HDAC1 Q13547 12/20 0.57
HDAC2 Q92769 6/20 0.57
HDAC8 Q9BY41 7/20 0.56
HDAC3 O15379 4/20 0.56
HDAC6 Q9UBN7 4/20 0.56
HDAC5 Q9UQL6 4/20 0.56
HDAC4 P56524 3/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC10 Q969S8 3/20 0.56
HDAC11 Q96DB2 3/20 0.56
HDAC9 Q9UKV0 3/20 0.56
GLS O94925 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
ALOX5 P09917 1/20 0.45
PSMB8 P28062 1/20 0.44
PSMB5 P28074 1/20 0.44

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
SCHEMBL23804835 0.83 CYP1A2 (0.51) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL22556182 0.81 ALDH1A1 (0.47) MMP2MMP9ADAM17GLSLOXL2
SCHEMBL5640993 0.79 CASP6 (0.50) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL10368235 0.78 LOXL2 (0.55) MMP2MMP9ADAM17GLSLOXL2
SCHEMBL30076529 0.78 MAPT (0.51) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL30076530 0.78 MAPT (0.51) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL11251951 0.78 MAPT (0.51) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL13783954 0.77 HDAC1 (0.73) MMP2MMP9ADAM17HDAC1HDAC2
SCHEMBL9684718 0.77 NPC1 (0.47) MMP2MMP9ADAM17HDAC1HDAC2
SCHEMBL7248298 0.76 LOXL2 (0.53) MMP2MMP9ADAM17LOXL2PSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220168717-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME INSTITUTE FOR BASIC SCIENCE (KR) 2022-06-02 US disclosed
US-11344872-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same INSTITUTE FOR BASIC SCIENCE (KR) 2022-05-31 US disclosed
US-20200330969-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-10-22 US disclosed
WO-2019135600-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME 기초과학연구원 2019-07-11 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 (3 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-20220168717-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME COASY, NOTUM, MRPL21 MMP2 3144/4885MMP9 1796/4885ADAM17 968/4885
US-11344872-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same COASY, NOTUM, MRPL21 MMP2 2656/4885MMP9 1344/4885ADAM17 679/4885
US-20200330969-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME COASY, NOTUM, MRPL21 MMP2 3144/4885MMP9 1796/4885ADAM17 968/4885

“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.