SCHEMBL6791684

SCHEMBL6791684

NCCn1nc2c(ccc3cc(OC(=O)C(F)(F)F)c(-c4cccc([N+](=O)[O-])c4)cc32)c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 1/20 0.34
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
PLAU P00749 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
F12 P00748 1/20 0.33

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
SCHEMBL6786885 0.96 GABRA1 (0.36) MAPTALDH1A1MEN1KMT2AGABRA1
Trifluoroacetic Acid SCHEMBL6791682 0.87 GABRA1 (0.36) MAPTALDH1A1MEN1KMT2AGABRA1
Trifluoroacetic Acid SCHEMBL6786883 0.83 GABRA1 (0.38) MAPTALDH1A1MEN1KMT2AGABRA1
SCHEMBL1655983 0.79 KMT2A (0.35) MAPTALDH1A1MEN1KMT2AGABRA1
SCHEMBL6787521 0.77 AKR1C3 (0.38) MAPTALDH1A1MEN1KMT2AGABRA1
SCHEMBL6793960 0.76 BRD4 (0.38) MAPTALDH1A1MEN1KMT2AGABRA1
SCHEMBL1656590 0.75 GABRA1 (0.35) MAPTALDH1A1MEN1KMT2AGABRA1
SCHEMBL6793554 0.74 ALPL (0.34) MAPTALDH1A1MEN1KMT2APDE4A
SCHEMBL6788076 0.71 AKR1C3 (0.37) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL6789065 0.71 MIF (0.34)

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 MAPT 3143/4885ALDH1A1 4449/4885MEN1 1382/4885

“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.