SCHEMBL4147736

SCHEMBL4147736

O=C(OC1CCC(F)(F)C1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.54
▸ CHRNA7 P36544 5/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ HTR3E A5X5Y0 1/20 0.49
▸ HTR3B O95264 1/20 0.49
▸ HTR3A P46098 1/20 0.49
▸ HTR3D Q70Z44 1/20 0.49
▸ HTR3C Q8WXA8 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ TSHR P16473 2/20 0.48
▸ APOBEC3A P31941 1/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48
▸ EPHX2 P34913 1/20 0.45
▸ SCN1A P35498 1/20 0.43
▸ SCN2A Q99250 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43
▸ CARM1 Q86X55 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43

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
SCHEMBL4147717 0.91 GAA (0.51) GAACHRNA7KMT2AMEN1HTR3E
SCHEMBL1886968 0.90 MEN1 (0.56) GAACHRNA7KMT2AMEN1HTR3E
SCHEMBL25184160 0.78 LMNA (0.54) GAACHRNA7KMT2AMEN1HTR3E
SCHEMBL25192995 0.78 LMNA (0.54) GAACHRNA7KMT2AMEN1HTR3E
SCHEMBL1786140 0.77 MEN1 (0.69) GAACHRNA7KMT2AMEN1HTR3E
SCHEMBL4453290 0.77 MEN1 (0.69) GAACHRNA7KMT2AMEN1HTR3E
SCHEMBL17931086 0.77 GAA (0.81) GAACHRNA7KMT2AMEN1HTR3E
SCHEMBL4445003 0.77 LMNA (0.54) KMT2AMEN1LMNATDP1POLB
SCHEMBL3980267 0.77 LMNA (0.54) KMT2AMEN1LMNATDP1POLB
SCHEMBL27521105 0.77 LMNA (0.54) KMT2AMEN1LMNATDP1POLB

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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 — — US disclosed
EP-1805196-A1 SUBSTITUTED ADENINES AND THE USE THEREOF AstraZeneca AB (SE) 2007-07-11 — — EP disclosed
WO-2006040558-A1 SUBSTITUTED ADENINES AND THE USE THEREOF ASTRAZENECA AB (SE) 2006-04-20 — — WO 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 GAA 863/4885CHRNA7 4487/4885KMT2A 1961/4885

“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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