SCHEMBL16166309

SCHEMBL16166309

CCOC(=O)CNc1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
GRK2 P25098 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 3/20 0.44
PKM P14618 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GLA P06280 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 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
SCHEMBL29245704 0.85 MAPT (0.51) POLBGRK2ALDH1A1MAPTMEN1
Water SCHEMBL9248793 0.83 POLB (0.63) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL4426853 0.82 PPID (0.55) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL696336 0.82 ALDH1A1 (0.52) POLBGRK2ALDH1A1MAPTMEN1
SCHEMBL7442192 0.82 TOP2A (0.51) POLBALDH1A1MAPTGAAKDM4E
SCHEMBL4035087 0.82 POLB (0.65) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL28468875 0.81 POLB (0.68) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL16166446 0.81 GRK2 (0.43) POLBGRK2ALDH1A1MAPTMEN1
SCHEMBL1372423 0.80 POLB (0.63) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL1433357 0.80 ABCB1 (0.46) POLBGRK2ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978750-B1 \"SYNTHESIS OF DABIGATRAN\ USV PRIVATE LTD (IN) 2020-03-04 EP disclosed
US-9688657-B2 Synthesis of dabigatran USV PRIVATE LIMITED (IN) 2017-06-27 US disclosed
US-9688657-B2 Synthesis of dabigatran USV PRIVATE LIMITED (IN) 2017-06-27 US disclosed
US-9688657-B2 Synthesis of dabigatran USV PRIVATE LIMITED (IN) 2017-06-27 US disclosed
US-20160060248-A1 SYNTHESIS OF DABIGATRAN USV PRIVATE LIMITED (IN) 2016-03-03 US disclosed
EP-2978750-A2 \"SYNTHESIS OF DABIGATRAN\ USV Limited (IN) 2016-02-03 EP disclosed
WO-2014167577-A2 \"SYNTHESIS OF DABIGATRAN\ USV LIMITED (IN) 2014-10-16 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-20160060248-A1 SYNTHESIS OF DABIGATRAN ESD, F2, PROC POLB 2992/4885GRK2 3350/4885ALDH1A1 309/4885

“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.