SCHEMBL16998369

SCHEMBL16998369

N=C1CC(=O)/C(=C/c2ccc3occc3c2)S1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.48
▸ RAB9A P51151 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ACHE P22303 8/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ CLK3 P49761 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ CTNNB1 P35222 2/20 0.32
▸ WNT3A P56704 2/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ GPR183 P32249 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL16998368 0.84 CYP2A6 (0.48) CYP2A6RAB9AMEN1KMT2APIK3CA
SCHEMBL16762263 0.79 MEN1 (0.55) CYP2A6RAB9AMEN1KMT2APIK3CA
SCHEMBL16762261 0.79 MEN1 (0.55) CYP2A6RAB9AMEN1KMT2APIK3CA
SCHEMBL2880695 0.77 RAB9A (0.57) CYP2A6RAB9APIK3CAPIK3CGPIM1
SCHEMBL6794569 0.77 RAB9A (0.57) CYP2A6RAB9APIK3CAPIK3CGPIM1
SCHEMBL2880693 0.77 RAB9A (0.57) CYP2A6RAB9APIK3CAPIK3CGPIM1
SCHEMBL16762276 0.74 PIM1 (0.64) RAB9AMEN1KMT2APIK3CAPIK3CG
SCHEMBL16762271 0.74 PIM1 (0.64) RAB9AMEN1KMT2APIK3CAPIK3CG
SCHEMBL16762274 0.74 PIM1 (0.64) RAB9AMEN1KMT2APIK3CAPIK3CG
SCHEMBL27985070 0.73 CLK1 (0.46) CYP2A6RAB9AMEN1KMT2APIK3CA

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-10017524-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor KYOTO UNIVERSITY (JP) 2018-07-10 — — US disclosed
US-20170355715-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR KYOTO UNIVERSITY (JP) 2017-12-14 — — US disclosed
US-9745323-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor KYOTO UNIVERSITY (JP) 2017-08-29 — — US disclosed
US-20150225421-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR KYOTO UNIVERSITY (JP) 2015-08-13 — — 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 (3 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-20150225421-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR VHL, TP53, COMT CYP2A6 1458/4885RAB9A 2200/4885MEN1 31/4885
US-20170355715-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR VHL, TP53, COMT CYP2A6 1458/4885RAB9A 2200/4885MEN1 31/4885
US-10017524-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor VHL, TP53, COMT CYP2A6 1458/4885RAB9A 2200/4885MEN1 31/4885

“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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