SCHEMBL6449069

SCHEMBL6449069

O=C(NNC(=O)c1ccccc1F)c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.62
▸ NPC1 O15118 3/20 0.62
▸ PKM P14618 1/20 0.62
▸ AGTR1 P30556 1/20 0.62
▸ CTNNB1 P35222 1/20 0.59
▸ WNT3A P56704 1/20 0.59
▸ GRM4 Q14833 1/20 0.59
▸ TLR7 Q9NYK1 5/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ LMNA P02545 1/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL1147702 0.84 KDM4E (0.73) RAB9ANPC1PKMAGTR1TLR7
SCHEMBL6450415 0.82 ALDH1A1 (0.70) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6451494 0.82 KDM4E (0.58) RAB9ANPC1PKMGRM4TLR7
SCHEMBL6450640 0.81 KDM4E (0.60) RAB9ANPC1PKMCTNNB1WNT3A
SCHEMBL17842464 0.80 CTNNB1 (0.66) RAB9ANPC1PKMAGTR1CTNNB1
SCHEMBL28871743 0.79 GAA (0.59) RAB9ANPC1GRM4TLR7ALDH1A1
SCHEMBL4542670 0.78 KDM4E (0.54) RAB9ANPC1PKMGRM4TLR7
SCHEMBL12894824 0.78 KDM4E (0.54) RAB9ANPC1PKMAGTR1GRM4
SCHEMBL14810907 0.78 KDM4E (0.67) RAB9ANPC1PKMTLR7ALDH1A1
SCHEMBL6448607 0.77 RAB9A (0.63) RAB9ANPC1PKMALDH1A1KDM4E

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 — — 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC RAB9A 2483/4885NPC1 59/4885PKM 2206/4885

“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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