SCHEMBL6701560

SCHEMBL6701560

CCN(CC)CCC(=O)Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
POLB P06746 2/20 0.53
APEX1 P27695 1/20 0.53
KDM4E B2RXH2 2/20 0.43
VNN1 O95497 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
CTBP2 P56545 1/20 0.40

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
SCHEMBL21171846 0.83 TDP1 (0.51) TDP1KDM4EL3MBTL1GAALMNA
SCHEMBL6946103 0.83 TAAR1 (0.53) TDP1POLBAPEX1KDM4EVNN1
SCHEMBL8833730 0.80 TDP1 (0.56) TDP1POLBAPEX1KDM4EVNN1
SCHEMBL12808989 0.79 TDP1 (0.47) TDP1POLBAPEX1VNN1GAA
SCHEMBL12731522 0.78 GAA (0.48) TDP1POLBAPEX1KDM4EVNN1
SCHEMBL7256741 0.76 TDP1 (0.55) TDP1POLBAPEX1KDM4EGAA
SCHEMBL5954012 0.76 HTR7 (0.61) POLBKDM4EL3MBTL1GAALMNA
SCHEMBL526194 0.75 GAA (0.57) TDP1POLBAPEX1KDM4EGAA
SCHEMBL24487081 0.73 GAA (0.55) TDP1KDM4EL3MBTL1GAALMNA
SCHEMBL24486979 0.73 KMT2A (0.34) TDP1POLBL3MBTL1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006042-A1 Diaminopyrimidines and combination therapies effective for treatment of P-glycoprotein positive cancers BERRY DAVID ALLEN (US) 2004-01-08 US disclosed
WO-2000009131-A1 DIAMINOPYRIMIDINES AND COMBINATION THERAPIES EFFECTIVE FOR TREATMENT OF P-GLYCOPROTEIN POSITIVE CANCERS WARNER-LAMBERT COMPANY (US) 2000-02-24 WO disclosed
US-4851526-A ANTIARRYTHMIA, HYPOTENSIVE, ANTIISCHEMIC SCHERING A.G. (DE) 1989-07-25 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-20040006042-A1 Diaminopyrimidines and combination therapies effective for treatment of P-glycoprotein positive cancers ABCB1, ABCC1, DPYD TDP1 2601/4885POLB 538/4885APEX1 3322/4885

“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.