SCHEMBL2221032

SCHEMBL2221032

C=CCOc1ccc(Br)cc1/C=N\O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 1.00
ALDH1A1 P00352 2/20 1.00
TSHR P16473 4/20 0.68
POLB P06746 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
CTDSP1 Q9GZU7 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MAPK1 P28482 2/20 0.63
HSD17B10 Q99714 1/20 0.63
MAPT P10636 3/20 0.59
LMNA P02545 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
RECQL P46063 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.48

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
SCHEMBL2221037 1.00 HPGD (1.00) HPGDALDH1A1TSHRPOLBTDP1
SCHEMBL7143238 0.82 HPGD (0.69) HPGDALDH1A1TSHRPOLBTDP1
SCHEMBL2219521 0.80 HPGD (0.66) HPGDALDH1A1TSHRPOLBTDP1
SCHEMBL1155738 0.78 HPGD (1.00) HPGDALDH1A1TSHRL3MBTL1MAPK1
SCHEMBL7856948 0.78 HPGD (1.00) HPGDALDH1A1TSHRL3MBTL1MAPK1
SCHEMBL23680002 0.78 HPGD (1.00) HPGDALDH1A1TSHRL3MBTL1MAPK1
SCHEMBL2185561 0.77 HPGD (0.62) HPGDALDH1A1TSHRPOLBTDP1
SCHEMBL8162150 0.77 MAPT (0.76) HPGDALDH1A1TSHRPOLBTDP1
SCHEMBL8162146 0.77 MAPT (0.76) HPGDALDH1A1TSHRPOLBTDP1
SCHEMBL4323081 0.76 HPGD (0.61) HPGDALDH1A1TSHRPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2216312-B1 PROCESS FOR PRODUCING ORGANIC COMPOUND M TECHNIQUE CO LTD (JP) 2019-05-01 EP disclosed
US-8592498-B2 Method for producing organic compound and organic compound obtained by the method M. TECHNIQUE CO., LTD. (JP) 2013-11-26 US disclosed
US-20110178199-A1 METHOD FOR PRODUCING ORGANIC COMPOUND AND ORGANIC COMPOUND OBTAINED BY THE METHOD M. TECHNIQUE CO., LTD. (JP) 2011-07-21 US disclosed
EP-2216312-A1 PROCESS FOR PRODUCING ORGANIC COMPOUND AND ORGANIC COMPOUND OBTAINED BY THE SAME M Technique Co., Ltd. (JP) 2010-08-11 EP disclosed
US-7009059-B2 Method for the 1,3 dipolar cycloaddition of organic compounds in a microreactor MERCK PATENT GMBH (DE) 2006-03-07 US disclosed
US-20030163001-A1 Method for oximating organic carbonyl compounds and/or ch-acid compounds WURZIGER HANNS (DE) 2003-08-28 US disclosed
US-20030158421-A1 Method for the 1,3 dipolar cycloaddition of organic compounds in a microreactor MERCK PATENT GMBH (DE) 2003-08-21 US disclosed
EP-1268485-A1 METHOD FOR THE 1,3 DIPOLAR CYCLOADDITION OF ORGANIC COMPOUNDS IN A MICROREACTOR MERCK PATENT GmbH (DE) 2003-01-02 EP disclosed
EP-1268406-A1 METHOD FOR OXIMATING ORGANIC CARBONYL COMPOUNDS AND/OR CH-ACID COMPOUNDS MERCK PATENT GmbH (DE) 2003-01-02 EP disclosed
WO-2001074760-A1 METHOD FOR OXIMATING ORGANIC CARBONYL COMPOUNDS AND/OR CH-ACID COMPOUNDS MERCK PATENT GMBH (DE) 2001-10-11 WO disclosed
WO-2001074822-A1 METHOD FOR THE 1,3 DIPOLAR CYCLOADDITION OF ORGANIC COMPOUNDS IN A MICROREACTOR MERCK PATENT GMBH (DE) 2001-10-11 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 (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-20110178199-A1 METHOD FOR PRODUCING ORGANIC COMPOUND AND ORGANIC COMPOUND OBTAINED BY THE METHOD OR10J3, PORCN, ABCG2 HPGD 3527/4885ALDH1A1 3191/4885TSHR 3423/4885

“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.