SCHEMBL22668586

SCHEMBL22668586

O=C(Nc1nnc(-c2ccc(F)cc2)o1)N1CCCc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ ADCY1 Q08828 11/20 0.53
▸ ADCY8 P40145 6/20 0.53
▸ LMNA P02545 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ POLB P06746 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
SCHEMBL20766784 0.94 NPC1 (0.62) NPC1RAB9AADCY1ADCY8LMNA
SCHEMBL22668548 0.90 ADCY1 (0.60) RAB9AADCY1ADCY8LMNAHTT
SCHEMBL22668481 0.88 ADCY1 (0.58) NPC1RAB9AADCY1ADCY8LMNA
SCHEMBL22668490 0.84 ADCY1 (0.61) NPC1RAB9AADCY1ADCY8LMNA
SCHEMBL22668464 0.84 ADCY1 (0.54) NPC1RAB9AADCY1ADCY8LMNA
SCHEMBL22668770 0.84 ADCY1 (0.54) NPC1RAB9AADCY1ADCY8LMNA
SCHEMBL22668461 0.83 ADCY1 (0.60) NPC1RAB9AADCY1ADCY8LMNA
SCHEMBL22668781 0.83 ADCY1 (0.60) NPC1RAB9AADCY1ADCY8LMNA
SCHEMBL22668451 0.82 RAB9A (0.48) NPC1RAB9AADCY1ADCY8LMNA
SCHEMBL22668503 0.81 ADCY1 (0.55) NPC1RAB9AADCY1ADCY8LMNA

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-20200361882-A1 METABOLICALLY STABLE N-ACYLAMINOOXADIAZOLES USEFUL AS ANTIBACTERIAL AGENTS MICROBIOTIX, INC. (US) 2020-11-19 — — 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-20200361882-A1 METABOLICALLY STABLE N-ACYLAMINOOXADIAZOLES USEFUL AS ANTIBACTERIAL AGENTS RIOX2, MRPS35, AADAC NPC1 2261/4885RAB9A 1031/4885ADCY1 3421/4885

“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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