SCHEMBL19533192

SCHEMBL19533192

CC(C)=NNc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 8/20 0.46
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
GFER P55789 2/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HTT P42858 1/20 0.41
KYAT1 Q16773 1/20 0.41
POLB P06746 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL15177203 0.80 ALDH1A1 (0.54) TDP1ALDH1A1GAANPSR1MAPT
SCHEMBL15519815 0.79 MAPT (0.41) TDP1ALDH1A1GAANPSR1LMNA
SCHEMBL12297545 0.79 MAPT (0.50) TDP1ALDH1A1GAALMNAMAPT
SCHEMBL18463191 0.79 ALDH1A1 (0.58) TDP1ALDH1A1GAALMNAMAPT
SCHEMBL11871568 0.79 MEN1 (0.56) TDP1ALDH1A1GAANPSR1LMNA
SCHEMBL518402 0.79 ALDH1A1 (0.53) TDP1ALDH1A1GAANPSR1LMNA
SCHEMBL3086579 0.78 GAA (0.50) TDP1ALDH1A1GAANPSR1LMNA
Hydrochloric Acid SCHEMBL11372554 0.77 GAA (0.50) TDP1ALDH1A1GAANPSR1LMNA
SCHEMBL9429115 0.77 TDP1 (0.48) TDP1ALDH1A1GAANPSR1LMNA
SCHEMBL9429111 0.77 TDP1 (0.48) TDP1ALDH1A1GAANPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932336-B2 Process for the preparation of apixaban and intermediates thereof Jubilant Generics Limited (IN) 2018-04-03 US disclosed
US-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF Jubilant Generics Limited (IN) 2017-11-02 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-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF VKORC1, VKORC1L1, CYP4X1 TDP1 4082/4885ALDH1A1 751/4885GAA 1280/4885

“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.