SCHEMBL4026508

SCHEMBL4026508

CN1CC(=O)N(OC(=O)c2ccccc2)C(=O)N1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
KMT2A Q03164 7/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
F2 P00734 1/20 0.38
CHRNA7 P36544 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CHRNB2 P17787 1/20 0.35

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
SCHEMBL4022532 0.85 PLA2G7 (0.42) TSHRKMT2AMEN1LMNAF2
SCHEMBL4022586 0.81 TSHR (0.47) TSHRKMT2AMEN1LMNAF2
SCHEMBL4019343 0.80 F2 (0.41) TSHRKMT2AMEN1LMNAF2
SCHEMBL4024104 0.78 F2 (0.45) TSHRKMT2AMEN1LMNAF2
SCHEMBL4023623 0.77 KMT2A (0.42) TSHRKMT2AMEN1LMNAF2
SCHEMBL4028126 0.75 TSHR (0.44) TSHRKMT2AMEN1LMNAF2
SCHEMBL19309377 0.74 KMT2A (0.53) TSHRKMT2ALMNAF2MAPT
SCHEMBL133554 0.74 KMT2A (0.53) TSHRKMT2ALMNAF2MAPT
SCHEMBL1232166 0.72 LMNA (0.50) TSHRKMT2ALMNAF2MAPT
SCHEMBL4027977 0.72 KMT2A (0.43) TSHRKMT2AMEN1LMNAF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524986-B2 Methods for producing aromatic carboxylic acids DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-28 US disclosed
US-20070191634-A1 Methods for producing aromatic carboxylic acids DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-08-16 US disclosed
EP-1734029-A1 PROCESS FOR PRODUCING AROMATIC CARBOXYLIC ACID Daicel Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
US-6768023-B2 REACTING AN ESTER OR SALT OF NITROUS ACID WITH A COMPOUND THAT GENERATES A FREE RADICAL IN THE PRESENCE OF A NITROGEN CONTAINING CYCLIC COMPOUND CONTAINING AN N-OXY OR -HYDROXY IMIDE GROUP; FORMING OXIMES, NITRO COMPOUNDS, AND KETONES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-07-27 US disclosed
US-20030171618-A1 Process for producing organic compounds using nitrites DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-11 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-20030171618-A1 Process for producing organic compounds using nitrites NOS1, NOS2, NOS3 TSHR 2997/4885KMT2A 3719/4885MEN1 1755/4885
US-20070191634-A1 Methods for producing aromatic carboxylic acids PAH, AHR, HAO2 TSHR 2348/4885KMT2A 1551/4885MEN1 4514/4885

“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.