SCHEMBL7109229

SCHEMBL7109229

CCN(CC)C(=O)c1cnccc1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 3/20 0.51
▸ KDM6B O15054 1/20 0.51
▸ ALKBH2 Q6NS38 1/20 0.51
▸ ALKBH3 Q96Q83 1/20 0.51
▸ KDM5B Q9UGL1 1/20 0.51
▸ KDM2A Q9Y2K7 1/20 0.51
▸ KDM3A Q9Y4C1 1/20 0.51
▸ TSHR P16473 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HPGD P15428 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 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
SCHEMBL17914153 0.82 TSHR (0.60) TSHRMAPK1LMNAHPGDALDH1A1
SCHEMBL258224 0.81 KDM6B (0.59) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL9870441 0.78 FTO (0.56) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL10371115 0.77 ALDH1A1 (0.50) TSHRMAPK1HPGDHTTSMN1; SMN2
SCHEMBL6491004 0.77 FTO (0.56) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL9868870 0.77 FTO (0.53) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL18705678 0.76 TSHR (0.53) TSHRMAPK1USP2LMNAALDH1A1
SCHEMBL9870443 0.74 FTO (0.52) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL7109226 0.73 TSHR (0.50) TSHRMAPK1LMNAHPGDALDH1A1
SCHEMBL6643903 0.72 TSHR (0.52) TSHRMAPK1LMNAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030022266-A1 Novel agents for replacement of NAD+/NADH system in enzymatic reactions ENERGY, U.S. DEPARTMENT OF 2003-01-30 — — 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-20030022266-A1 Novel agents for replacement of NAD+/NADH system in enzymatic reactions NQO1, NADK, ME2 FTO 1169/4885KDM6B 2121/4885ALKBH2 1682/4885

“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.

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