SCHEMBL2293763

SCHEMBL2293763

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.39
AKR1C3 P42330 1/20 0.39
EPHX1 P07099 1/20 0.38
PHGDH O43175 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
USP30 Q70CQ3 1/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2295526 1.00 MAPT (0.45) MAPTSMN1; SMN2GAAAKR1C3EPHX1
SCHEMBL2296382 0.86 KMT2A (0.44) MAPTSMN1; SMN2AKR1C3PHGDHALDH1A1
SCHEMBL2294411 0.86 KMT2A (0.44) MAPTSMN1; SMN2AKR1C3PHGDHALDH1A1
SCHEMBL2297060 0.85 GRIN2B (0.40) PHGDHUSP30
SCHEMBL2298342 0.85 GRIN2B (0.40) PHGDHUSP30
SCHEMBL2292562 0.84 SMN1; SMN2 (0.55) MAPTSMN1; SMN2GAAALDH1A1LMNA
SCHEMBL2295706 0.84 SMN1; SMN2 (0.55) MAPTSMN1; SMN2GAAALDH1A1LMNA
SCHEMBL2298215 0.84 USP30 (0.39) MAPTSMN1; SMN2GAAAKR1C3ALDH1A1
SCHEMBL2294164 0.84 MOGAT2 (0.44) USP30
SCHEMBL2296411 0.84 USP30 (0.39) MAPTSMN1; SMN2GAAAKR1C3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPT 1/4885SMN1; SMN2 849/4885GAA 1873/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAPT 1/4885SMN1; SMN2 849/4885GAA 1873/4885

“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.