SCHEMBL6017782

SCHEMBL6017782

Cn1c(-c2ccccc2N(CCO)Cc2ccc(F)cc2)nc(C(=O)O)c(O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 3/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
NSD2 O96028 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 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
SCHEMBL6017997 0.86 FEN1 (0.42) ERCC1FEN1ERCC4TDP1MAPT
SCHEMBL6017938 0.84 KCNE1 (0.48) ERCC1FEN1ERCC4HTTSMN1; SMN2
SCHEMBL6018587 0.74 SMN1; SMN2 (0.51) ERCC1FEN1ERCC4HTTSMN1; SMN2
SCHEMBL6884704 0.71 ERCC1 (0.49) ERCC1FEN1ERCC4LMNA
SCHEMBL6017832 0.70 KMT2A (0.52) ERCC1FEN1ERCC4MAPTHTT
SCHEMBL6883225 0.68 PIN1 (0.40) ERCC1FEN1ERCC4TDP1MAPT
SCHEMBL6017760 0.67 SMN1; SMN2 (0.57) ERCC1FEN1ERCC4MAPTALDH1A1
SCHEMBL6017632 0.67 KCNE1 (0.54) TDP1MAPTNPSR1ALDH1A1SMN1; SMN2
SCHEMBL4027602 0.66 PTGER1 (0.46) ERCC1FEN1ERCC4MAPTRAB9A
SCHEMBL6092535 0.66 ERCC1 (0.42) ERCC1FEN1ERCC4SMN1; SMN2KDM4E

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-7037908-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-02 US disclosed
US-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY 2004-11-18 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 (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-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex DUT, CDK6, TYMS ERCC1 2446/4885FEN1 1374/4885ERCC4 1625/4885

“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.