SCHEMBL2405657

SCHEMBL2405657

CC(CNC(=O)O)Oc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
RAB9A P51151 1/20 0.48
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.43
FAAH O00519 2/20 0.42
ACHE P22303 2/20 0.42
BCHE P06276 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL16136794 0.86 ALDH1A1 (0.46) ALDH1A1HTTRAB9AMAPTMAPK1
SCHEMBL2368687 0.85 MKNK2 (0.48) ALDH1A1HTTRAB9AMAPTMAPK1
SCHEMBL16336039 0.80 TDP1 (0.47) ALDH1A1HTTRAB9AMAPTMAPK1
SCHEMBL2402576 0.80 MTNR1A (0.44) MTNR1AMTNR1B
SCHEMBL2368899 0.80 MAPT (0.45) ALDH1A1HTTRAB9AMAPTMAPK1
SCHEMBL10843869 0.79 RAB9A (0.50) ALDH1A1HTTRAB9AMAPTMAPK1
SCHEMBL17241139 0.79 RAB9A (0.50) ALDH1A1HTTRAB9AMAPTMAPK1
SCHEMBL2369130 0.78 RAB9A (0.45) ALDH1A1HTTRAB9AMAPTMAPK1
SCHEMBL4825168 0.78 RAB9A (0.49) ALDH1A1HTTRAB9AMAPTMAPK1
SCHEMBL2368879 0.78 RAB9A (0.46) ALDH1A1HTTRAB9AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853193-B2 Thienopyrimidines containing a substituted alkyl group for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
EP-2539344-A1 HALOGEN OR CYANO SUBSTITUTED THIENO [2,3-D]PYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP disclosed
WO-2011104338-A1 HALOGEN OR CYANO SUBSTITUTED THIENO [2,3-D]PYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO disclosed
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 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-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS CMPK1, DTYMK, NEK2 ALDH1A1 3994/4885HTT 3696/4885RAB9A 2397/4885

“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.