SCHEMBL5008152

SCHEMBL5008152

Cn1cc([N+](=O)[O-])cc(I)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
XDH P47989 1/20 0.37
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP4 P49662 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
CASP6 P55212 1/20 0.36
POLB P06746 1/20 0.36
CYP19A1 P11511 1/20 0.34
CHEK1 O14757 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
SCHEMBL397235 0.79 MAPT (0.48) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL2573621 0.79 ALDH1A1 (0.47) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL11997400 0.78 CYP3A4 (0.46) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL2070905 0.78 ALDH1A1 (0.44) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL14994695 0.78 ALDH1A1 (0.48) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL13272808 0.78 GPR35 (0.43) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL16244899 0.78 ALDH1A1 (0.40) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL17494854 0.74 ALDH1A1 (0.44) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL9434907 0.72 TSHR (0.46) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL14910224 0.71 L3MBTL1 (0.38) LMNAMEN1KMT2AHTTL3MBTL1

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
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
CN-101052629-A Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARM INC (US) 2007-10-10 CN disclosed
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 US disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 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-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds BMX, ERBB2, FRK LMNA 3621/4885MEN1 2569/4885KMT2A 795/4885
US-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP LMNA 4253/4885MEN1 438/4885KMT2A 1926/4885

“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.