SCHEMBL5981575

SCHEMBL5981575

O=C(OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ LMNA P02545 5/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ AGTR1 P30556 1/20 0.43

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
SCHEMBL30681167 1.00 MAPT (0.51) MAPTLMNATDP1KMT2AMAPK1
SCHEMBL26290435 0.86 MAPT (0.50) MAPTLMNATDP1KMT2AMAPK1
SCHEMBL25427561 0.84 ALDH1A1 (0.49) MAPTLMNATDP1KMT2AMAPK1
Ethyl Nicotinate SCHEMBL502614 0.84 L3MBTL1 (0.51) MAPTLMNATDP1KMT2AMAPK1
SCHEMBL9245476 0.84 ALDH1A1 (0.49) TDP1MAPK1ALDH1A1GAAHPGD
SCHEMBL26455064 0.84 ALDH1A1 (0.49) TDP1MAPK1ALDH1A1GAAHPGD
SCHEMBL9245472 0.84 ALDH1A1 (0.49) TDP1MAPK1ALDH1A1GAAHPGD
Niacinamide SCHEMBL17318207 0.83 F7 (0.51) MAPTLMNATDP1KMT2AMAPK1
SCHEMBL15562680 0.82 HK1 (0.43) TDP1ALDH1A1HPGD
SCHEMBL15562678 0.82 HK1 (0.43) TDP1ALDH1A1HPGD

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-7132402-B2 Acylated benzylmaltosides as inhibitors of smooth muscle cell proliferation WYETH (US) 2006-11-07 — — US claimed
US-7132402-B2 Acylated benzylmaltosides as inhibitors of smooth muscle cell proliferation WYETH (US) 2006-11-07 — — US disclosed
US-20050176652-A1 Acylated benzylmaltosides as inhibitors of smooth muscle cell proliferation WYETH (US) 2005-08-11 — — 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 (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-20050176652-A1 Acylated benzylmaltosides as inhibitors of smooth muscle cell proliferation MYLK, TNNI3, MYLK2 MAPT 4877/4885LMNA 1766/4885TDP1 3408/4885

“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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