SCHEMBL5387739

SCHEMBL5387739

CC(C)(C)c1ccc(Oc2[c]cc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HSPB1 P04792 1/20 0.41
MAPT P10636 8/20 0.39
RAB9A P51151 6/20 0.39
NPC1 O15118 4/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HTT P42858 4/20 0.38
APEX1 P27695 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6960847 0.84 ACHE (0.52) LMNASMN1; SMN2ALDH1A1NPSR1HSPB1
SCHEMBL1030905 0.84 APP (0.48) LMNASMN1; SMN2CRHBPCRHR2ALDH1A1
SCHEMBL4670068 0.81 HSPB1 (0.59) LMNASMN1; SMN2CRHBPCRHR2ALDH1A1
SCHEMBL6972654 0.80 LMNA (0.44) LMNASMN1; SMN2CRHBPCRHR2ALDH1A1
P-Nitrophenol SCHEMBL10766308 0.75 HSPB1 (0.51) LMNASMN1; SMN2CRHBPCRHR2ALDH1A1
SCHEMBL397351 0.74 HSD17B10 (0.56) LMNASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL22966212 0.74 LMNA (0.46) LMNASMN1; SMN2CRHBPCRHR2ALDH1A1
SCHEMBL192974 0.73 HTT (0.44) LMNASMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL23844032 0.73 ALDH1A1 (0.43) LMNASMN1; SMN2CRHBPCRHR2ALDH1A1
SCHEMBL8715421 0.72 ALDH1A1 (0.40) LMNAALDH1A1HSPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312337-B2 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY (US) 2007-12-25 US claimed
US-7268235-B2 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY (US) 2007-09-11 US claimed
US-20060074245-A1 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY 2006-04-06 US claimed
US-20060069262-A1 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY 2006-03-30 US claimed
US-7312337-B2 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY (US) 2007-12-25 US disclosed
US-7268235-B2 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY (US) 2007-09-11 US disclosed
US-20060074245-A1 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY 2006-04-06 US disclosed
US-20060069262-A1 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY 2006-03-30 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 (2 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-20060069262-A1 Oxadiazoles and their manufacture OXA1L, CYP1B1, OXER1 LMNA 4588/4885SMN1; SMN2 1897/4885CRHBP 3408/4885
US-20060074245-A1 Method for preparation of N-pyrazolylamidoximes KCNH1, KCNJ2, KCNH2 LMNA 2267/4885SMN1; SMN2 3121/4885CRHBP 3855/4885

“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.