SCHEMBL16008690

SCHEMBL16008690

CCCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
USP2 O75604 1/20 0.40
GSK3B P49841 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM5A P29375 1/20 0.39
CNR2 P34972 4/20 0.38
KDM4E B2RXH2 4/20 0.37
PKM P14618 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 1/20 0.35
SERPINE1 P05121 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 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
SCHEMBL5540515 0.95 TDP1 (0.45) TDP1USP2GSK3BMEN1KMT2A
SCHEMBL5543145 0.94 TDP1 (0.47) TDP1USP2GSK3BMEN1KMT2A
SCHEMBL5547281 0.92 TDP1 (0.45) TDP1USP2GSK3BMEN1KMT2A
SCHEMBL5546031 0.91 TDP1 (0.52) TDP1USP2GSK3BMEN1KMT2A
SCHEMBL15163541 0.91 TDP1 (0.48) TDP1USP2GSK3BMEN1KMT2A
SCHEMBL5540588 0.89 TDP1 (0.46) TDP1USP2GSK3BMEN1KMT2A
SCHEMBL5547382 0.89 TDP1 (0.47) TDP1USP2GSK3BMEN1KMT2A
SCHEMBL5546471 0.86 TDP1 (0.48) TDP1USP2GSK3BMEN1KMT2A
SCHEMBL15163542 0.86 TDP1 (0.48) TDP1USP2GSK3BMEN1KMT2A
SCHEMBL5538646 0.86 TDP1 (0.47) TDP1USP2GSK3BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 TDP1 801/4885USP2 4117/4885GSK3B 2347/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 TDP1 575/4885USP2 4003/4885GSK3B 461/4885

“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.