SCHEMBL22668485

SCHEMBL22668485

O=C(Nc1nnc(-c2ccc(F)cc2)o1)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ ADCY1 Q08828 11/20 0.59
▸ HDAC3 O15379 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ ADCY8 P40145 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ OPRK1 P41145 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ CCR6 P51684 1/20 0.50

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
SCHEMBL22668490 0.90 ADCY1 (0.61) POLBNPC1RAB9AADCY1ADCY8
SCHEMBL22668781 0.89 ADCY1 (0.60) POLBNPC1RAB9AADCY1ADCY8
SCHEMBL22668461 0.89 ADCY1 (0.60) POLBNPC1RAB9AADCY1ADCY8
SCHEMBL22668557 0.88 ADCY1 (0.59) POLBNPC1RAB9AADCY1ADCY8
SCHEMBL22668777 0.86 ADCY1 (0.57) POLBNPC1RAB9AADCY1ADCY8
SCHEMBL22668800 0.85 ADCY1 (0.56) POLBNPC1RAB9AADCY1ADCY8
SCHEMBL22668590 0.85 ADCY1 (0.56) POLBNPC1RAB9AADCY1ADCY8
SCHEMBL22668516 0.85 ADCY1 (0.53) POLBNPC1RAB9AADCY1ADCY8
SCHEMBL22668481 0.84 ADCY1 (0.58) POLBNPC1RAB9AADCY1ADCY8
SCHEMBL22668563 0.84 ADCY1 (0.55) POLBNPC1RAB9ASMN1; SMN2ADCY1

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 POLB 611/4885NPC1 2261/4885RAB9A 1031/4885

“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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