SCHEMBL12227010

SCHEMBL12227010

CCN(CCC(N)=O)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.44
▸ MTNR1A P48039 2/20 0.43
▸ MTNR1B P49286 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ C1S P09871 1/20 0.37
▸ GFER P55789 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3868884 0.81 MEN1 (0.47) ALDH1A1TSHRSMN1; SMN2RAB9AGAA
SCHEMBL11518103 0.80 ALDH1A1 (0.49) MTNR1AMTNR1BALDH1A1CYP3A4LMNA
SCHEMBL10106401 0.79 ALDH1A1 (0.47) MTNR1AMTNR1BALDH1A1CYP3A4LMNA
SCHEMBL7896008 0.79 ALDH1A1 (0.59) MTNR1AMTNR1BALDH1A1CYP3A4LMNA
SCHEMBL9446163 0.77 MAPT (0.53) ALDH1A1CYP3A4LMNATSHRSMN1; SMN2
SCHEMBL9197023 0.77 S100B (0.66) ALDH1A1CYP3A4LMNATSHRSMN1; SMN2
SCHEMBL11692906 0.76 ALDH1A1 (0.44) MTNR1AMTNR1BALDH1A1CYP3A4LMNA
SCHEMBL19654993 0.75 ALDH1A1 (0.43) MTNR1AMTNR1BALDH1A1CYP3A4LMNA
SCHEMBL5504743 0.75 MAPT (0.47) ALDH1A1CYP3A4LMNATSHRSMN1; SMN2
SCHEMBL27820732 0.75 PARP1 (0.49) PARP1MTNR1AMTNR1BALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS ALIOS BIOPHARMA, INC. 2016-02-18 — — US disclosed
US-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 — — US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 — — 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 (2 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-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-2, H1-4 PARP1 2022/4885MTNR1A 668/4885MTNR1B 218/4885
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS MAVS, EIF2AK2, SARS1 PARP1 503/4885MTNR1A 746/4885MTNR1B 646/4885

“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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