SCHEMBL4337942

SCHEMBL4337942

CCN(CCNC(=O)c1ccc([N+](=O)[O-])cc1)CCC(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.55
▸ TMEM97 Q5BJF2 2/20 0.53
▸ SIGMAR1 Q99720 2/20 0.53
▸ RAB9A P51151 2/20 0.52
▸ LMNA P02545 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ SLC22A2 O15244 1/20 0.51
▸ SLC22A1 O15245 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ACHE P22303 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ BLM P54132 2/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ PRMT5 O14744 1/20 0.49
▸ WDR77 Q9BQA1 1/20 0.49
▸ ATM Q13315 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7037787 0.88 LMNA (0.62) MAPTTMEM97SIGMAR1RAB9ALMNA
SCHEMBL3570124 0.88 LMNA (0.65) MAPTTMEM97SIGMAR1RAB9ALMNA
Hydrochloric Acid SCHEMBL9053101 0.86 LMNA (0.66) MAPTTMEM97SIGMAR1RAB9ALMNA
SCHEMBL14066867 0.86 HDAC1 (0.63) MAPTTMEM97SIGMAR1RAB9ALMNA
SCHEMBL4328609 0.85 MAPT (0.57) MAPTTMEM97SIGMAR1RAB9ALMNA
SCHEMBL4342510 0.84 KMT2A (0.50) MAPTTMEM97SIGMAR1RAB9ALMNA
SCHEMBL9827447 0.83 RAB9A (0.60) MAPTTMEM97SIGMAR1RAB9ALMNA
SCHEMBL4338814 0.83 HDAC3 (0.54) MAPTTMEM97SIGMAR1RAB9ALMNA
SCHEMBL4331116 0.83 MAPT (0.52) MAPTTMEM97SIGMAR1RAB9ALMNA
SCHEMBL4348074 0.83 ALDH1A1 (0.75) TMEM97SIGMAR1LMNAALDH1A1SLC22A2

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
EP-2061772-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS Curis, Inc. (US) 2009-05-27 — — EP disclosed
US-20080234355-A1 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-09-25 — — US disclosed
US-20080234355-A1 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-09-25 — — US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 — — US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 — — US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 — — WO disclosed
WO-2008033744-A2 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 — — WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 — — WO 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-20080234355-A1 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY DNMT1, DNMT3B, DNMT3A MAPT 1735/4885TMEM97 3904/4885SIGMAR1 4339/4885
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 MAPT 3758/4885TMEM97 3221/4885SIGMAR1 3603/4885

“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.

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