SCHEMBL3242252

SCHEMBL3242252

[CH2]c1ccc(CN(C)Cc2ccc(Oc3ccccn3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
PTGS2 P35354 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 4/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 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
SCHEMBL3235759 0.89 CYP2D6 (0.40) KDM4ETSHRNPSR1POLBTDP1
SCHEMBL9762783 0.83 PTGS2 (0.50) LTA4HPTGS2KDM4ELMNAPOLB
SCHEMBL17602318 0.76 KDM4C (0.47) LTA4HPTGS2KDM4ELMNAMAPT
SCHEMBL5024073 0.76 PTGS2 (0.50) LTA4HPTGS2KDM4EALDH1A1TSHR
SCHEMBL3239427 0.75 JAK1 (0.44) KDM4ETSHRLMNANPSR1POLB
SCHEMBL11143982 0.74 PTGS2 (0.57) LTA4HPTGS2KDM4ELMNAPOLB
SCHEMBL9707239 0.74 PTGS2 (0.59) LTA4HPTGS2KDM4EALDH1A1ADAMTS4
SCHEMBL3243783 0.74 P2RX3 (0.39) ALDH1A1MEN1KMT2AACHE
SCHEMBL17602047 0.73 KDM4C (0.44) LTA4HPTGS2KDM4ETSHRLMNA
SCHEMBL3242981 0.73 ADRB2 (0.49) KDM4EALDH1A1TSHRMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 LTA4H 665/4885PTGS2 1408/4885KDM4E 4565/4885

“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.