SCHEMBL5017651

SCHEMBL5017651

NOCn1nnc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 8/20 0.59
▸ GRM2 Q14416 2/20 0.56
▸ MAPT P10636 3/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ EGLN3 Q9H6Z9 2/20 0.50
▸ KCNMA1 Q12791 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ THPO P40225 1/20 0.50
▸ CYP4Z1 Q86W10 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ MGAM O43451 1/20 0.49
▸ AMY1A P0DUB6 1/20 0.49

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
SCHEMBL29479886 0.81 SLC9A1 (0.65) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL2488643 0.81 SLC9A1 (0.65) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL12001037 0.81 SLC9A1 (0.59) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL822764 0.79 SLC9A1 (0.56) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL3463660 0.79 SLC9A1 (0.57) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL251561 0.79 SLC9A1 (0.66) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL31234269 0.78 SLC9A1 (0.70) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL1774497 0.78 SLC9A1 (0.70) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL19586677 0.77 SLC9A1 (0.59) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL14074964 0.77 SLC9A1 (0.54) SLC9A1GRM2MAPTRAB9ANPC1

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-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 — — US disclosed
CN-101107000-A 3,6-bicyclolides ENANTA PHARM INC (US) 2008-01-16 — — CN disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 — — 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-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 SLC9A1 2920/4885GRM2 4794/4885MAPT 3856/4885

“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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