SCHEMBL2029995

SCHEMBL2029995

O=C(O)C1CC(=O)N(c2c(F)cccc2F)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
ALOX15 P16050 1/20 0.51
RECQL P46063 1/20 0.50
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA4 P22748 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
CA5B Q9Y2D0 3/20 0.49
CA6 P23280 2/20 0.49
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
GRK2 P25098 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47

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
SCHEMBL25413636 0.83 MAPT (0.69) TSHRMAPTHPGDCASP1CASP7
SCHEMBL11642625 0.81 MAPT (0.67) TSHRMAPTHPGDCASP1CASP7
SCHEMBL16110771 0.81 TSHR (0.58) TSHRMAPTHPGDCASP1CASP7
SCHEMBL1603354 0.81 MAPT (0.71) TSHRMAPTCASP1CASP7ALOX15
SCHEMBL5842480 0.78 TSHR (0.68) TSHRMAPTHPGDRECQLCA12
SCHEMBL892508 0.77 CA12 (0.66) TSHRMAPTCASP1CASP7ALOX15
SCHEMBL20116495 0.77 CA12 (0.66) TSHRMAPTCASP1CASP7ALOX15
SCHEMBL11645987 0.77 MAPT (0.64) TSHRMAPTHPGDCASP1CASP7
SCHEMBL16111034 0.77 MAPT (0.60) TSHRMAPTHPGDCASP1CASP7
SCHEMBL20676025 0.76 CA12 (0.74) TSHRMAPTHPGDCASP1CASP7

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-7968572-B2 Nitrogen-containing heterocyclic compound and pharmaceutical application thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2011-06-28 US disclosed
US-20100063104-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2010-03-11 US disclosed
EP-1932840-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 EP 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-20100063104-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF NOS2, NOS1, MAPK1 TSHR 4452/4885MAPT 1488/4885HPGD 32/4885

“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.