SCHEMBL39367

SCHEMBL39367

Cc1c(C(N)=O)cc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 4/20 0.48
HTT P42858 2/20 0.48
MITF O75030 1/20 0.48
CCR6 P51684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.43
AKR1B1 P15121 1/20 0.43

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
SCHEMBL30597565 0.93 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2CYP3A4MAPT
SCHEMBL623566 0.91 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2CYP3A4MAPT
SCHEMBL27597666 0.84 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2CYP3A4MAPT
SCHEMBL13365083 0.83 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2CYP3A4MAPT
Dinitolmide SCHEMBL29360311 0.83 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2CYP3A4MAPT
Dinitolmide SCHEMBL43712 0.83 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2CYP3A4MAPT
SCHEMBL377142 0.83 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2CYP3A4MAPT
SCHEMBL31414427 0.83 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2CYP3A4MAPT
SCHEMBL30406917 0.82 ALDH1A1 (0.50) ALDH1A1CYP3A4MAPTHTTALOX15
SCHEMBL89086 0.82 ALDH1A1 (0.50) ALDH1A1CYP3A4MAPTHTTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2214669-B1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2015-04-01 EP disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
US-7868001-B2 Cytokine inhibitors HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2011-01-11 US disclosed
EP-2214669-A1 CYTOKINE INHIBITORS Hutchison Medipharma Enterprises Limited (BS) 2010-08-11 EP disclosed
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (CN) 2009-05-07 US disclosed
WO-2009059162-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-07 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-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer IL1B, IL1A, IL17A ALDH1A1 391/4885LMNA 2595/4885SMN1; SMN2 4477/4885

“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.