SCHEMBL22372103

SCHEMBL22372103

O=C(NCC1CC1)c1cc[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.48
CNR1 P21554 2/20 0.45
MLLT1 Q03111 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
MAPK14 Q16539 2/20 0.40

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
SCHEMBL5592949 0.92 HDAC6 (0.50) CNR1HDAC6
SCHEMBL28511837 0.88 RORC (0.44) HIF1ACNR1KDM4E
SCHEMBL28518833 0.88 RORC (0.44) HIF1ACNR1KDM4E
SCHEMBL28909407 0.88 CA2 (0.41) HIF1ACNR1MLLT1KDM4EALDH1A1
SCHEMBL28909463 0.82 RORC (0.39) HIF1ACNR1MLLT1KDM4EALDH1A1
SCHEMBL3144624 0.76 CNR1 (0.41) CNR1KDM4EHDAC6
SCHEMBL27363106 0.76 HDAC6 (0.35) HDAC6
SCHEMBL20029114 0.76 ACR (0.43) CNR1KDM4EALDH1A1
SCHEMBL2556995 0.75 ALDH1A1 (0.40) ALDH1A1
SCHEMBL31145858 0.75 KDM4C (0.47) HIF1AKDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264138-B2 Process for the preparation of microbiocidal oxadiazole derivatives SYNGENTA CROP PROTECTION AG (CH) 2025-04-01 US disclosed
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-06-23 US disclosed
US-11358957-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2022-06-14 US disclosed
US-20200277287-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-09-03 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 (4 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-12264138-B2 Process for the preparation of microbiocidal oxadiazole derivatives CYP51A1, MPO, NOX5 HIF1A 2242/4885CNR1 3686/4885MLLT1 4213/4885
US-20200277287-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG2 HIF1A 3545/4885CNR1 1622/4885MLLT1 3898/4885
US-11358957-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG2 HIF1A 3545/4885CNR1 1622/4885MLLT1 3898/4885
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES CYP51A1, MPO, NOX5 HIF1A 2242/4885CNR1 3686/4885MLLT1 4213/4885

“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.