SCHEMBL14933689

SCHEMBL14933689

Cc1ccc(C)c(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.83
KMT2A Q03164 13/20 0.69
MEN1 O00255 12/20 0.69
MAPT P10636 7/20 0.63
NPC1 O15118 6/20 0.63
TLR9 Q9NR96 6/20 0.63
RAB9A P51151 5/20 0.63
HTT P42858 4/20 0.63
MAPK1 P28482 4/20 0.63
OPRK1 P41145 3/20 0.63
NPSR1 Q6W5P4 3/20 0.63
POLB P06746 3/20 0.63
ALDH1A1 P00352 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 3/20 0.63
OPRD1 P41143 2/20 0.63
GPR55 Q9Y2T6 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CASP6 P55212 2/20 0.58
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL14933690 0.91 TNF (1.00) TNFKMT2AMEN1MAPTNPC1
SCHEMBL13401768 0.74 MEN1 (1.00) TNFKMT2AMEN1MAPTNPC1
SCHEMBL5708771 0.71 NPC1 (0.73) TNFKMT2AMEN1MAPTNPC1
SCHEMBL14933670 0.71 IDO1 (0.69) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL13401763 0.70 MAPT (0.65) TNFKMT2AMEN1MAPTNPC1
SCHEMBL3707610 0.70 MEN1 (0.61) TNFKMT2AMEN1MAPTNPC1
SCHEMBL14933668 0.70 TNF (0.66) TNFKMT2AMEN1MAPTNPC1
SCHEMBL16134355 0.68 KMT2A (0.43) TNFKMT2AMEN1MAPTNPC1
SCHEMBL5708833 0.68 NPC1 (1.00) TNFKMT2AMEN1MAPTNPC1
SCHEMBL13436799 0.67 MAPT (0.70) TNFKMT2AMEN1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296308-A1 DRUGS FOR INHIBITING P38 AND USES THEREOF Universidad Autónoma de Madrid (ES) 2014-10-02 US claimed
EP-2774613-A1 DRUGS FOR INHIBITING P38 AND USES THEREOF Universidad Autónoma De Madrid (ES) 2014-09-10 EP claimed
US-9096554-B2 Drugs for inhibiting p38 and uses thereof Universidad Autónoma de Madrid (ES) 2015-08-04 US disclosed
US-9096554-B2 Drugs for inhibiting p38 and uses thereof Universidad Autónoma de Madrid (ES) 2015-08-04 US disclosed
US-20140296308-A1 DRUGS FOR INHIBITING P38 AND USES THEREOF Universidad Autónoma de Madrid (ES) 2014-10-02 US disclosed
US-20140296308-A1 DRUGS FOR INHIBITING P38 AND USES THEREOF Universidad Autónoma de Madrid (ES) 2014-10-02 US disclosed
EP-2774613-A1 DRUGS FOR INHIBITING P38 AND USES THEREOF Universidad Autónoma De Madrid (ES) 2014-09-10 EP disclosed
EP-2774613-A1 DRUGS FOR INHIBITING P38 AND USES THEREOF Universidad Autónoma De Madrid (ES) 2014-09-10 EP disclosed
WO-2013064714-A1 DRUGS FOR INHIBITING P38 AND USES THEREOF Universidad Autónoma de Madrid (ES) 2013-05-10 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-20140296308-A1 DRUGS FOR INHIBITING P38 AND USES THEREOF MAPK1, MAPK4, MAPK8 TNF 107/4885KMT2A 3069/4885MEN1 3940/4885

“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.