SCHEMBL6645019

SCHEMBL6645019

CCN(CC)C(=O)c1cccc(N(C)C)c1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
HPGD P15428 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 4/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 2/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.45
TRPA1 O75762 1/20 0.39
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
P2RX4 Q99571 1/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7281533 0.84 ALDH1A1 (0.60) KEAP1HPGDTDP1TSHRMAPT
SCHEMBL510076 0.82 GAA (0.52) KEAP1TSHRMAPTALDH1A1TP53
SCHEMBL509012 0.81 TSHR (0.57) KEAP1HPGDTDP1TSHRMAPT
SCHEMBL9190322 0.79 TSHR (0.48) TDP1TSHRMAPTALDH1A1TP53
SCHEMBL2568978 0.79 KEAP1 (0.50) KEAP1HPGDTDP1TSHRMAPT
SCHEMBL2571861 0.78 KEAP1 (0.49) KEAP1HPGDTDP1TSHRMAPT
SCHEMBL3442880 0.78 ESR1 (0.56) KEAP1HPGDTDP1TSHRMAPT
Hydrochloric Acid SCHEMBL9324500 0.78 TSHR (0.47) TDP1TSHRMAPTALDH1A1TP53
SCHEMBL3442604 0.78 KEAP1 (0.49) KEAP1HPGDTDP1TSHRMAPT
SCHEMBL2425674 0.77 ALDH1A1 (0.53) HPGDTDP1TSHRMAPTALDH1A1

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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 KEAP1 310/4885HPGD 77/4885TDP1 737/4885

“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.