SCHEMBL22668450

SCHEMBL22668450

C[C@@H]1CCCN(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 10/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ HTT P42858 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ CCR6 P51684 1/20 0.47
▸ ADCY8 P40145 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
SCHEMBL22668775 1.00 ADCY1 (0.51) ADCY1NPC1ALDH1A1HTTKDM4E
SCHEMBL22668821 0.88 ADCY1 (0.52) ADCY1NPC1HTTKDM4ERAB9A
SCHEMBL22668499 0.87 ALDH1A1 (0.59) ADCY1ALDH1A1HTTKDM4EPOLB
SCHEMBL22668563 0.87 ADCY1 (0.55) ADCY1NPC1HTTKDM4EMEN1
SCHEMBL22668511 0.87 ADCY1 (0.48) ADCY1NPC1HTTKDM4ERAB9A
SCHEMBL22668574 0.85 ADCY1 (0.49) ADCY1NPC1HTTKDM4ERAB9A
SCHEMBL22668490 0.85 ADCY1 (0.61) ADCY1NPC1HTTKDM4ERAB9A
SCHEMBL22668781 0.84 ADCY1 (0.60) ADCY1NPC1HTTKDM4ERAB9A
SCHEMBL22668461 0.84 ADCY1 (0.60) ADCY1NPC1HTTKDM4ERAB9A
SCHEMBL22668561 0.83 ADCY1 (0.51) ADCY1NPC1HTTKDM4ERAB9A

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 ADCY1 3421/4885NPC1 2261/4885ALDH1A1 2784/4885

“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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