Oxirane

Oxirane

SCHEMBL6772854

C1CO1.Cc1onc(-c2ccccc2)c1C(=O)NCCCN1CCN(F)CC1

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
HDAC6 Q9UBN7 4/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC3 O15379 2/20 0.58
NCOR2 Q9Y618 2/20 0.58
HDAC4 P56524 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
GAA P10253 1/20 0.57
TSHR P16473 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 2/20 0.52
HIF1A Q16665 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL6774818 0.84 L3MBTL1 (0.58) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL6767651 0.82 GAA (0.55) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL6767236 0.82 SLC6A4 (0.67) GAAALDH1A1
SCHEMBL6771851 0.81 L3MBTL1 (0.53) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL6768000 0.80 SLC6A4 (0.56) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL6777863 0.80 MAPT (0.55) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL6771339 0.79 DRD2 (0.58) GAAALDH1A1
SCHEMBL6771747 0.79 SLC6A2 (0.52) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL6770559 0.79 DRD2 (0.58) GAAALDH1A1
SCHEMBL26377827 0.79 GAA (0.83) L3MBTL1HDAC6HDAC1HDAC3NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680319-B2 TREATMENT OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA, TREATMENT OF LOWER URINARY TRACT SYMPTOMS RECORDATI S.A. (CH) 2004-01-20 US claimed
US-20020161012-A1 Isoxazolecarboxamide derivatives RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY 2002-10-31 US claimed
US-6365591-B1 FOR THERAPY OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA (BPH), AND IN THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS (LUTS) AND NEUROGENIC LOWER URINARY TRACT DYSFUNCTION (NLUTD) RECORDATI, S.A., CHEMICAL AND PHARMACUETICALS COMPANY (CH) 2002-04-02 US claimed
US-6680319-B2 TREATMENT OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA, TREATMENT OF LOWER URINARY TRACT SYMPTOMS RECORDATI S.A. (CH) 2004-01-20 US disclosed
US-20020161012-A1 Isoxazolecarboxamide derivatives RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY 2002-10-31 US disclosed
US-6365591-B1 FOR THERAPY OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA (BPH), AND IN THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS (LUTS) AND NEUROGENIC LOWER URINARY TRACT DYSFUNCTION (NLUTD) RECORDATI, S.A., CHEMICAL AND PHARMACUETICALS COMPANY (CH) 2002-04-02 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-20020161012-A1 Isoxazolecarboxamide derivatives ADRA1D, NMUR1, NMUR2 L3MBTL1 1977/4885HDAC6 1537/4885HDAC1 1224/4885

“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.