SCHEMBL15782859

SCHEMBL15782859

CCc1c(C(C)=O)ncc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
NCEH1 Q6PIU2 1/20 0.41
KDM4E B2RXH2 4/20 0.38
GPR3 P46089 1/20 0.38
MAOA P21397 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
MAPT P10636 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL17891982 0.77 MAPT (0.38) NPC1TDP1KDM4EGPR3MAOA
SCHEMBL17891984 0.77 KMT2A (0.40) NPC1TDP1KDM4EGPR3MAOA
SCHEMBL17898588 0.76 NPC1 (0.35) NPC1TDP1KDM4EGPR3MAOA
SCHEMBL14533460 0.74 KDM4E (0.44) NPC1TDP1NCEH1KDM4EGPR3
SCHEMBL14533532 0.74 KDM4E (0.44) NPC1TDP1NCEH1KDM4EGPR3
SCHEMBL19347321 0.73 NOS3 (0.43) NPC1TDP1NCEH1KDM4EGPR3
SCHEMBL4535161 0.71 NCEH1 (0.51) TDP1NCEH1KDM4EALDH1A1HPGD
SCHEMBL2015417 0.71 HIF1A (0.43) NPC1TDP1KDM4EMAOAL3MBTL1
SCHEMBL14359645 0.70 GCGR (0.42) NPC1TDP1NCEH1KDM4EGPR3
SCHEMBL14533470 0.70 KDM4E (0.40) NPC1TDP1NCEH1KDM4EGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-11-14 US disclosed
US-9884830-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-02-06 US disclosed
EP-3138831-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF President and Fellows of Harvard College (US) 2017-03-08 EP disclosed
EP-1753713-B1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2016-07-27 EP disclosed
US-9365493-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-14 US disclosed
US-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-12 US 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 (2 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-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC NPC1 3339/4885TDP1 2470/4885NCEH1 3000/4885
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC NPC1 3339/4885TDP1 2470/4885NCEH1 3000/4885

“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.