SCHEMBL4840175

SCHEMBL4840175

COc1ccc(-c2nc(NC(C)=O)sc2CCN)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
ALDH1A1 P00352 7/20 0.67
GAA P10253 5/20 0.67
LMNA P02545 2/20 0.67
KDM4E B2RXH2 1/20 0.67
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
PTGDR2 Q9Y5Y4 3/20 0.52
HPGD P15428 2/20 0.52
ADORA3 P0DMS8 1/20 0.51
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
DYRK1A Q13627 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
PTGS2 P35354 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTT P42858 1/20 0.48
TDP2 O95551 1/20 0.47

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
SCHEMBL4841458 0.88 MAPT (0.55) MAPTALDH1A1GAALMNAKDM4E
SCHEMBL4836675 0.86 ALDH1A1 (0.58) MAPTALDH1A1GAALMNAKDM4E
SCHEMBL14195914 0.83 MAPT (0.61) MAPTALDH1A1GAALMNAKDM4E
SCHEMBL6546546 0.76 MAPT (0.88) MAPTALDH1A1GAALMNAKDM4E
SCHEMBL4839493 0.75 ALOX15B (0.57) MAPTALDH1A1GAALMNAKDM4E
SCHEMBL3500991 0.73 MAPT (0.67) MAPTALDH1A1GAALMNAKDM4E
SCHEMBL918248 0.73 MAPT (1.00) MAPTALDH1A1GAALMNAMEN1
SCHEMBL6546857 0.73 MAPT (0.81) MAPTALDH1A1GAALMNAKDM4E
SCHEMBL3888412 0.73 MAPT (0.72) MAPTALDH1A1GAALMNAKDM4E
SCHEMBL14195920 0.73 MAPT (0.51) MAPTALDH1A1GAALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351727-B2 Inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-01 US disclosed
US-7351727-B2 Inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-01 US disclosed
US-7351727-B2 Inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-01 US disclosed
US-20050065198-A1 Inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY 2005-03-24 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-20050065198-A1 Inhibitors of 15-lipoxygenase ALOX15, ALOX5, ALOX15B MAPT 4250/4885ALDH1A1 490/4885GAA 1484/4885

“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.