SCHEMBL2378078

SCHEMBL2378078

NC1CC(Oc2cc(F)ccc2[N+](=O)[O-])C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
ATM Q13315 1/20 0.46
HSPB1 P04792 3/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SCD O00767 1/20 0.36
PDE7A Q13946 1/20 0.36
FAAH O00519 2/20 0.36
ACHE P22303 2/20 0.36
GAA P10253 3/20 0.35
GLA P06280 1/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL2378079 1.00 TDP1 (0.46) TDP1ATMHSPB1ALDH1A1MAPT
SCHEMBL12256912 0.91 TDP1 (0.43) TDP1ATMHSPB1ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL2369308 0.90 ALDH1A1 (0.39) TDP1ATMHSPB1ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL2369305 0.90 ALDH1A1 (0.39) TDP1ATMHSPB1ALDH1A1MAPT
SCHEMBL12256680 0.87 TDP1 (0.45) TDP1ATMHSPB1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL2370171 0.86 TDP1 (0.44) TDP1ATMHSPB1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL2370173 0.86 TDP1 (0.44) TDP1ATMHSPB1ALDH1A1MAPT
SCHEMBL25342735 0.86 TDP1 (0.46) TDP1ATMHSPB1ALDH1A1MAPT
SCHEMBL12256888 0.86 TDP1 (0.46) TDP1ATMHSPB1ALDH1A1MAPT
SCHEMBL12256883 0.86 TDP1 (0.46) TDP1ATMHSPB1ALDH1A1MAPT

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-8754079-B2 Cycloalkyl containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
EP-2539345-A1 4 - [CYCLOALKYLOXY (HETERO) ARYLAMINO]THIENO [2, 3 - D]PYRIMIDINES HAVING MNKL/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP disclosed
US-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-08 US disclosed
WO-2011104334-A1 4 - [CYCLOALKYLOXY (HETERO) ARYLAMINO] THIENO [2, 3 - D] PYRIMIDINES HAVING MNKL/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 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-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, UCK2 TDP1 508/4885ATM 408/4885HSPB1 1117/4885

“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.