SCHEMBL14101179

SCHEMBL14101179

CN1C(=O)C(O)(C(F)(F)F)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.50
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HCRTR1 O43613 1/20 0.49
LMNA P02545 1/20 0.49
CHRM1 P11229 2/20 0.48
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 2/20 0.45
PDK2 Q15119 1/20 0.44
CBX7 O95931 2/20 0.43
CDY1; CDY1B Q9Y6F8 2/20 0.43
MAPK1 P28482 1/20 0.43
CDYL2 Q8N8U2 1/20 0.43
CDYL Q9Y232 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL31389172 0.86 RAD52 (0.51) RAD52SMN1; SMN2TSHRMAPTKDM4E
SCHEMBL4556961 0.80 TSHR (0.48) RAD52SMN1; SMN2TSHRCHRM1ALDH1A1
SCHEMBL17316276 0.78 ALDH1A1 (0.52) SMN1; SMN2MAPTKDM4ELMNAALDH1A1
SCHEMBL15544758 0.78 PDK2 (0.44) RAD52SMN1; SMN2TSHRMAPTLMNA
SCHEMBL25890238 0.77 RAD52 (0.55) RAD52SMN1; SMN2TSHRMAPTKDM4E
SCHEMBL12536165 0.76 TSHR (0.47) SMN1; SMN2TSHRCHRM1ALDH1A1PDK2
SCHEMBL30194888 0.74 MAPT (0.54) RAD52SMN1; SMN2TSHRMAPTKDM4E
SCHEMBL15599566 0.74 MAPT (0.54) RAD52SMN1; SMN2TSHRMAPTKDM4E
SCHEMBL29083889 0.74 MAPT (0.58) RAD52SMN1; SMN2MAPTKDM4EHCRTR1
SCHEMBL14691557 0.74 MAPT (0.41) RAD52TSHRMAPTKDM4EHCRTR1

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-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 US disclosed
US-7414078-B2 Oral general anesthetics and metabolitically resistant anticonvulsants UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-08-19 US disclosed
US-7414078-B2 Oral general anesthetics and metabolitically resistant anticonvulsants UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-08-19 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-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 RAD52 240/4885SMN1; SMN2 4137/4885TSHR 4201/4885

“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.