SCHEMBL3491884

SCHEMBL3491884

O=COc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 4/20 0.41
HIF1A Q16665 1/20 0.41
HSPB1 P04792 5/20 0.39
VCAM1 P19320 1/20 0.39
RAPGEF3 O95398 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HTT P42858 1/20 0.36
PTGES O14684 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
ESPL1 Q14674 1/20 0.35
CASP6 P55212 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
SCHEMBL10219336 0.86 ALDH1A1 (0.53) ATMTDP1ALDH1A1HIF1AHSPB1
SCHEMBL7290850 0.84 ALDH1A1 (0.49) ATMTDP1ALDH1A1VCAM1MAPT
SCHEMBL17786752 0.82 ATM (0.62) ATMTDP1ALDH1A1HIF1AHSPB1
SCHEMBL19886590 0.79 CYP19A1 (0.41) TDP1ALDH1A1MAPTLMNAHTT
SCHEMBL9864672 0.79 GPR35 (0.53) TDP1ALDH1A1HIF1AMAPTLMNA
SCHEMBL11309820 0.79 ALDH1A1 (0.50) ALDH1A1MAPTLMNAHTTCYP3A4
SCHEMBL29445159 0.79 TDP1 (0.58) ATMTDP1ALDH1A1MAPTLMNA
SCHEMBL6520 0.79 TDP1 (0.58) ATMTDP1ALDH1A1MAPTLMNA
Ammonia Solution, Strong SCHEMBL20536780 0.77 TDP1 (0.56) ATMTDP1ALDH1A1MAPTLMNA
SCHEMBL16284322 0.77 MAPT (0.45) ALDH1A1MAPTLMNAHTTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633201-B2 Thienopyrimidines having Mnk1/Mnk2 inhibiting activity for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
EP-2004656-B1 THIENOPYRIMIDINES HAVING MNK1 /MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2013-07-10 EP disclosed
US-20100056548-A1 THIENOPYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-03-04 US disclosed
EP-2004656-A1 THIENOPYRIMIDINES HAVING MNKL /MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-12-24 EP disclosed
WO-2007115822-A1 THIENOPYRIMIDINES HAVING MNKL /MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2007-10-18 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-20100056548-A1 THIENOPYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS CMPK1, DTYMK, NEK9 ATM 453/4885TDP1 359/4885ALDH1A1 4066/4885

“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.