SCHEMBL2294411

SCHEMBL2294411

COC(=O)N1CCO[C@H](c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
AKR1C3 P42330 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
PHGDH O43175 1/20 0.41
HTT P42858 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL2296382 1.00 KMT2A (0.44) KMT2AMAPTSMN1; SMN2AKR1C3KDM4E
SCHEMBL2295706 0.88 SMN1; SMN2 (0.55) KMT2AMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL2292562 0.88 SMN1; SMN2 (0.55) KMT2AMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL16796552 0.87 MAPT (0.56) MAPTSMN1; SMN2AKR1C3LMNAPHGDH
SCHEMBL1681464 0.87 MAPT (0.56) MAPTSMN1; SMN2AKR1C3LMNAPHGDH
SCHEMBL16796544 0.87 MAPT (0.56) MAPTSMN1; SMN2AKR1C3LMNAPHGDH
SCHEMBL2294852 0.87 CYP1A2 (0.52)
SCHEMBL2295578 0.87 CYP1A2 (0.52)
SCHEMBL2295526 0.86 MAPT (0.45) MAPTSMN1; SMN2AKR1C3KDM4ELMNA
SCHEMBL2293763 0.86 MAPT (0.45) MAPTSMN1; SMN2AKR1C3KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN claimed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
CN-102120741-A Production method of an optically active compound MITSUBISHI TANABE PHARMA CORP 2011-07-13 CN disclosed
CN-102050820-A Preparation method of compound with optical activity MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KMT2A 1798/4885MAPT 1/4885SMN1; SMN2 849/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KMT2A 1798/4885MAPT 1/4885SMN1; SMN2 849/4885

“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.