SCHEMBL16210434

SCHEMBL16210434

O=[N+]([O-])c1cccc(/N=C/c2c3ccccc3cc3ccccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ CYP1A2 P05177 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MPI P34949 1/20 0.52
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ PTGS2 P35354 1/20 0.46

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
SCHEMBL16210436 1.00 MAPT (0.56) MAPTALDH1A1KDM4ERAB9ACYP1A2
SCHEMBL12417065 0.80 KMT2A (0.58) MAPTALDH1A1KDM4ERAB9ACYP1A2
SCHEMBL28964169 0.78 MEN1 (0.67) MAPTALDH1A1KDM4ERAB9ACYP1A2
SCHEMBL12416609 0.78 MEN1 (0.67) MAPTALDH1A1KDM4ERAB9ACYP1A2
SCHEMBL28389429 0.77 IDO1 (0.64) MAPTALDH1A1KDM4ERAB9ACYP1A2
SCHEMBL28389826 0.77 IDO1 (0.64) MAPTALDH1A1KDM4ERAB9ACYP1A2
SCHEMBL4912916 0.75 KMT2A (0.57) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL4912911 0.75 KMT2A (0.57) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL5388688 0.72 MEN1 (0.62) MAPTALDH1A1KDM4ERAB9ACYP1A2
SCHEMBL5388684 0.72 MEN1 (0.62) MAPTALDH1A1KDM4ERAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796676-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2017-10-24 — — US disclosed
US-20160251312-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2016-09-01 — — US disclosed
US-9357781-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2016-06-07 — — US disclosed
WO-2014179785-A1 IMPROVED HONEYBEE REPELLENTS AND USES THEREOF INSCENT, INC. (US) 2014-11-06 — — WO disclosed
US-20140329674-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2014-11-06 — — 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-20160251312-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 MAPT 1877/4885ALDH1A1 2033/4885KDM4E 402/4885
US-20140329674-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 MAPT 1877/4885ALDH1A1 2033/4885KDM4E 402/4885

“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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