SCHEMBL18013085

SCHEMBL18013085

CC(C)Sc1nc2ccccc2o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.61
DDAH1 O94760 1/20 0.51
ADRA2C P18825 1/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 6/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 5/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
GFER P55789 1/20 0.48
NPC1 O15118 3/20 0.46
MEN1 O00255 2/20 0.45
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 5/20 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
SCHEMBL22292426 0.84 ALDH1A1 (0.48) ELANEDDAH1ADRA2CALDH1A1SMN1; SMN2
SCHEMBL15003936 0.83 DDAH1 (0.53) DDAH1ADRA2CALDH1A1SMN1; SMN2KMT2A
SCHEMBL18013090 0.83 ALDH1A1 (0.50) ELANEDDAH1ADRA2CALDH1A1SMN1; SMN2
SCHEMBL4188069 0.82 DDAH1 (0.59) DDAH1ADRA2CALDH1A1SMN1; SMN2KMT2A
SCHEMBL18776132 0.79 DDAH1 (0.53) DDAH1ADRA2CALDH1A1SMN1; SMN2KMT2A
SCHEMBL303847 0.79 ELANE (0.58) ELANEDDAH1ADRA2CALDH1A1SMN1; SMN2
SCHEMBL31155591 0.79 ELANE (0.58) ELANEDDAH1ADRA2CALDH1A1SMN1; SMN2
SCHEMBL28366757 0.78 DDAH1 (0.59) DDAH1ADRA2CALDH1A1SMN1; SMN2KMT2A
SCHEMBL18013088 0.77 DDAH1 (0.59) DDAH1ADRA2CALDH1A1SMN1; SMN2KMT2A
SCHEMBL16256319 0.77 SMN1; SMN2 (0.48) DDAH1ADRA2CALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
US-20210228550-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2021-07-29 US disclosed
US-11008358-B2 Synthesis of desosamines PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-05-18 US disclosed
US-10945996-B2 Inhibiting germination of clostridium perfringens spores to reduce necrotic enteritis THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2021-03-16 US disclosed
US-20200347087-A1 SYNTHESIS OF DESOSAMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-11-05 US disclosed
US-10729738-B2 Hindered disulfide drug conjugates GENENTECH, INC. (US) 2020-08-04 US disclosed
US-10544182-B2 Synthesis of desosamines Presidents and Fellow of Harvard College (US) 2020-01-28 US disclosed
US-20190209531-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2019-07-11 US disclosed
US-20180111956-A1 SYNTHESIS OF DESOSAMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-26 US disclosed
US-20180111956-A1 SYNTHESIS OF DESOSAMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-26 US disclosed
US-20180000793-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis ABEL-SANTOS ERNESTO (US) 2018-01-04 US disclosed
WO-2016127102-A2 INHIBITING GERMINATION OF CLOSTRIDIUM PERFRINGENS SPORES TO REDUCE NECROTIC ENTERITIS ABEL-SANTOS ERNESTO (US) 2016-08-11 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 (11 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-11008358-B2 Synthesis of desosamines NANS, GALE, FUT6 ELANE 1947/4885DDAH1 266/4885ADRA2C 2954/4885
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, DDOST, MGAM ELANE 2898/4885DDAH1 3763/4885ADRA2C 4438/4885
US-10945996-B2 Inhibiting germination of clostridium perfringens spores to reduce necrotic enteritis CASP3, SI, PYCARD ELANE 158/4885DDAH1 2270/4885ADRA2C 4119/4885
US-10544182-B2 Synthesis of desosamines NANS, GALE, FUT6 ELANE 1947/4885DDAH1 266/4885ADRA2C 2954/4885
US-20180111956-A1 SYNTHESIS OF DESOSAMINES NANS, GALE, FUT6 ELANE 1947/4885DDAH1 266/4885ADRA2C 2954/4885
US-20190209531-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis CASP3, SI, PYCARD ELANE 158/4885DDAH1 2270/4885ADRA2C 4119/4885
US-20210228550-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis CASP3, SI, PYCARD ELANE 158/4885DDAH1 2270/4885ADRA2C 4119/4885
US-20200347087-A1 SYNTHESIS OF DESOSAMINES NANS, GALE, FUT6 ELANE 1947/4885DDAH1 266/4885ADRA2C 2954/4885
US-10729738-B2 Hindered disulfide drug conjugates STS, TST, SCLY ELANE 2503/4885DDAH1 659/4885ADRA2C 2968/4885
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof FUT6, DDOST, MGAM ELANE 2898/4885DDAH1 3763/4885ADRA2C 4438/4885
US-20180000793-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis CASP3, SI, PYCARD ELANE 158/4885DDAH1 2270/4885ADRA2C 4119/4885

“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.