SCHEMBL346691

SCHEMBL346691

O=[N+]([O-])c1cccc(C2CCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
TSHR P16473 3/20 0.55
HSP90AA1 P07900 2/20 0.51
TDP1 Q9NUW8 2/20 0.50
POLB P06746 2/20 0.50
HDAC4 P56524 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
KMO O15229 1/20 0.47
ACHE P22303 1/20 0.47
ALOX15 P16050 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SLC9A1 P19634 1/20 0.46

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
SCHEMBL30317990 0.93 TSHR (0.59) LMNATSHRHSP90AA1TDP1ALDH1A1
SCHEMBL10046438 0.93 TSHR (0.59) LMNATSHRHSP90AA1TDP1ALDH1A1
Formic Acid SCHEMBL27516745 0.89 LMNA (0.52) LMNATSHRHSP90AA1TDP1POLB
Methyl Alcohol SCHEMBL28323753 0.88 LMNA (0.54) LMNATSHRTDP1ALDH1A1KDM4E
SCHEMBL11824168 0.85 HTR2C (0.54) LMNATSHRTDP1ALDH1A1KDM4E
SCHEMBL20557287 0.82 LMNA (0.52) LMNATSHRTDP1ALDH1A1KDM4E
SCHEMBL23123761 0.81 LMNA (0.54) LMNATSHRHSP90AA1TDP1ALDH1A1
SCHEMBL23123610 0.81 CHRNB4 (0.59) LMNATSHRTDP1ALDH1A1KDM4E
SCHEMBL11821722 0.78 MAPT (0.53) LMNATSHRTDP1ALDH1A1KDM4E
SCHEMBL778529 0.78 HDAC4 (0.63) HDAC4HDAC2HDAC8KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415756-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-01-19 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-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP LMNA 3717/4885TSHR 837/4885HSP90AA1 2290/4885

“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.