SCHEMBL21149335

SCHEMBL21149335

O=c1onc(CCCc2ccc(Br)cc2)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 3/20 0.38
▸ TAAR1 Q96RJ0 3/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HMOX1 P09601 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ PLAAT3 P53816 1/20 0.32
▸ PLAAT5 Q96KN8 1/20 0.32
▸ PLAAT2 Q9NWW9 1/20 0.32
▸ PLAAT4 Q9UL19 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32

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
SCHEMBL22190335 0.84 ALDH1A1 (0.35) ALDH1A1POLBL3MBTL1NPC1RAB9A
SCHEMBL22190338 0.84 ALDH1A1 (0.47) SIRT2TAAR1ALDH1A1POLBHDAC3
SCHEMBL21148547 0.84 SIRT2 (0.37) SIRT2TAAR1ALDH1A1POLBL3MBTL1
SCHEMBL22190370 0.84 ATM (0.47) TAAR1ALDH1A1POLBL3MBTL1NPC1
SCHEMBL21121188 0.83 RAB9A (0.46) HTR2AALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL22190352 0.82 TAAR1 (0.42) TAAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL22190357 0.80 KCNH2 (0.43) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL21148530 0.80 ALDH1A1 (0.57) SIRT2TAAR1ALDH1A1POLBSMN1; SMN2
SCHEMBL22190361 0.80 ATM (0.42) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL22190354 0.79 MAPT (0.43) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2

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 12 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
CN-111566116-B Novel metal complex, process for producing the same, and process for producing gamma-lactam compound using the same 基础科学研究院 2023-06-09 — — CN 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-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 — — WO disclosed
WO-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 — — WO 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 SIRT2 1975/4885TAAR1 4668/4885HTR2A 4810/4885
US-11344872-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same COASY, NOTUM, MRPL21 SIRT2 1833/4885TAAR1 4691/4885HTR2A 4805/4885
US-11998901-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same COASY, NOTUM, MRPL21 SIRT2 1833/4885TAAR1 4691/4885HTR2A 4805/4885
US-20200330969-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME COASY, NOTUM, MRPL21 SIRT2 1975/4885TAAR1 4668/4885HTR2A 4810/4885

“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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