SCHEMBL21149821

SCHEMBL21149821

COC(=O)Nc1cccc2c(OC)ccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ ATM Q13315 1/20 0.49
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ HTR1A P08908 2/20 0.47
▸ ADRA1D P25100 2/20 0.47
▸ ADRA1A P35348 2/20 0.47
▸ ADRA1B P35368 2/20 0.47
▸ HPGD P15428 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HCRTR1 O43613 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL22556190 0.89 SLC40A1 (0.61) SLC40A1HSD17B10HTTATMMEN1
SCHEMBL21121195 0.89 HTT (0.65) HSD17B10HTTATMMEN1KMT2A
SCHEMBL28778090 0.84 SLC40A1 (0.59) SLC40A1HSD17B10HTTMEN1KMT2A
SCHEMBL6537597 0.82 HSD17B10 (0.55) SLC40A1HSD17B10HTTMEN1KMT2A
SCHEMBL21121187 0.77 HTT (0.68) SLC40A1HSD17B10HTTATMMEN1
SCHEMBL11434003 0.77 PSMD14 (0.56) SLC40A1HSD17B10HTTATMMEN1
SCHEMBL21121176 0.76 POLB (0.68) MEN1KMT2ARAB9AHPGDMAPT
SCHEMBL11430744 0.75 SLC40A1 (0.54) SLC40A1HSD17B10HTTRAB9AHTR1A
SCHEMBL16887761 0.74 HTT (0.61) HSD17B10HTTATMMEN1KMT2A
SCHEMBL7913708 0.74 ALDH1A1 (0.58) HSD17B10HTTMEN1KMT2ARAB9A

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 9 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
CN-111566116-A Novel metal complex, method for producing same, and method for producing gamma-lactam compound using same 基础科学研究院 2020-08-21 — — CN 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 2128/4885HSD17B10 917/4885HTT 4800/4885
US-11344872-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same COASY, NOTUM, MRPL21 SLC40A1 2215/4885HSD17B10 764/4885HTT 4776/4885
US-11998901-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same COASY, NOTUM, MRPL21 SLC40A1 2215/4885HSD17B10 764/4885HTT 4776/4885
US-20200330969-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME COASY, NOTUM, MRPL21 SLC40A1 2128/4885HSD17B10 917/4885HTT 4800/4885

“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.

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