SCHEMBL21148901

SCHEMBL21148901

COC(=O)Nc1ccc(C(F)(F)F)c2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 4/20 0.54
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ HTT P42858 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ GSK3A P49840 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ FLT4 P35916 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ LIMK1 P53667 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ CDK5 Q00535 1/20 0.41

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
SCHEMBL18216600 0.89 SLC40A1 (0.51) SLC40A1KMT2AMEN1HTTHSD17B10
SCHEMBL18205912 0.85 SLC40A1 (0.61) SLC40A1KMT2AHTTHSD17B10GSK3A
SCHEMBL28510851 0.81 SLC40A1 (0.59) SLC40A1KMT2AMEN1HTTTRPV1
SCHEMBL21121195 0.80 HTT (0.65) KMT2AMEN1HTTHSD17B10ATM
SCHEMBL21149302 0.74 SLC40A1 (0.44) SLC40A1BRD4GSK3AGSK3BDYRK3
SCHEMBL21121176 0.73 POLB (0.68) KMT2AMEN1MAPTTP53KDM4E
SCHEMBL2785564 0.73 SLC40A1 (0.46) SLC40A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL21149821 0.71 SLC40A1 (0.57) SLC40A1KMT2AMEN1HTTHSD17B10
SCHEMBL29496213 0.71 SLC40A1 (0.47) SLC40A1KMT2AMEN1HTTKDM4E
SCHEMBL10272166 0.71 SLC40A1 (0.47) SLC40A1KMT2AMEN1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11998901-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same INSTITUTE FOR BASIC SCIENCE (KR) 2024-06-04 — — US disclosed
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-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-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
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 (4 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 SLC40A1 2128/4885KMT2A 1875/4885MEN1 476/4885
US-11344872-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same COASY, NOTUM, MRPL21 SLC40A1 2215/4885KMT2A 1518/4885MEN1 284/4885
US-11998901-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same COASY, NOTUM, MRPL21 SLC40A1 2215/4885KMT2A 1518/4885MEN1 284/4885
US-20200330969-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME COASY, NOTUM, MRPL21 SLC40A1 2128/4885KMT2A 1875/4885MEN1 476/4885

“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.

Send feedback